Sign In Join Free

Products Information

diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-thioxo-$l^{5}-phosphane
diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-thioxo-$l^{5}-phosphane ID: AN-45940
CAS:563-12-2
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:S(P(=S)(OCC)OCC)CSP(=S)(OCC)OCC	3286
FORMULA: C9H22O4P2S4
MASS: 384.4761
EXACT MASS: 383.9876164
INTERATOMIC DISTANCES

              S   1      S   2      S   3      S   4      P   5      P   6
              ------------------------------------------------------------------
   S   1    0.0000 
   S   2    1.7321     0.0000 
   S   3    1.4142     2.5036     0.0000 
   S   4    2.5036     1.4142     2.4641     0.0000 
   P   5    1.0000     2.6458     1.0000     3.0880     0.0000 
   P   6    2.6458     1.0000     3.0880     1.0000     3.4641     0.0000 
   O   7    2.0000     3.6056     1.4143     3.8476     1.0001     4.3590 
   O   8    1.4142     3.1196     2.0000     3.8730     1.0000     4.0576 
   O   9    3.6055     2.0000     3.8475     1.4142     4.3589     1.0000 
   O  10    3.1196     1.4142     3.8730     2.0000     4.0576     1.0000 
   C  11    1.0000     1.0001     1.5059     1.5060     1.7320     1.7321 
   C  12    2.6458     4.3590     2.3942     4.7754     1.7321     5.1962 
   C  13    1.5059     2.8754     2.6457     3.9415     1.7320     3.8730 
   C  14    4.3589     2.6457     4.7753     2.3941     5.1961     1.7320 
   C  15    2.8754     1.5059     3.9415     2.6457     3.8730     1.7320 
   C  16    3.6055     5.2915     3.1196     5.5742     2.6458     6.0828 
   C  17    2.5035     3.7416     3.6055     4.8989     2.6457     4.7396 
   C  18    5.2915     3.6055     5.5742     3.1196     6.0828     2.6458 
   C  19    3.7416     2.5035     4.8989     3.6055     4.7396     2.6457 
   H  20    1.0813     1.5968     0.9207     1.6768     1.4156     2.1829 
   H  21    1.5968     1.0813     1.6768     0.9207     2.1829     1.4156 
   H  22    2.1996     3.9317     2.2715     4.5019     1.4155     4.8210 
   H  23    2.9967     4.7288     2.9526     5.2682     2.1829     5.6148 
   H  24    0.9207     2.2809     2.1996     3.3217     1.4155     3.2732 
   H  25    1.6768     2.6771     2.9967     3.8956     2.1829     3.6708 
   H  26    4.7288     2.9967     5.2682     2.9526     5.6148     2.1829 
   H  27    3.9317     2.1996     4.5019     2.2715     4.8210     1.4155 
   H  28    2.6770     1.6768     3.8955     2.9967     3.6707     2.1829 
   H  29    2.2808     0.9207     3.3217     2.1996     3.2731     1.4156 
   H  30    4.0509     2.6111     5.0947     3.5085     5.0492     2.5120 
   H  31    4.3079     3.1229     5.5002     4.2100     5.3006     3.2380 
   H  32    3.5154     2.5467     4.7761     3.8023     4.4946     2.9082 
   H  33    5.1222     3.5087     5.2550     2.7933     5.8449     2.5121 
   H  34    5.8809     4.2100     6.0994     3.6354     6.6486     3.2380 
   H  35    5.5256     3.8024     5.9412     3.5257     6.3723     2.9083 
   H  36    2.5467     3.5154     3.8023     4.7761     2.9082     4.4947 
   H  37    3.1229     4.3079     4.2100     5.5002     3.2380     5.3006 
   H  38    2.6112     4.0510     3.5086     5.0948     2.5120     5.0492 
   H  39    3.8024     5.5256     3.5257     5.9412     2.9083     6.3723 
   H  40    4.2100     5.8809     3.6354     6.0994     3.2380     6.6486 
   H  41    3.5087     5.1222     2.7933     5.2550     2.5121     5.8449 

              O   7      O   8      O   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    1.4142     0.0000 
   O   9    5.1962     5.0195     0.0000 
   O  10    5.0196     4.4641     1.4142     0.0000 
   C  11    2.6458     2.3941     2.6458     2.3942     0.0000 
   C  12    1.0000     1.5060     6.0828     5.7617     3.4641     0.0000 
   C  13    2.3941     1.0000     4.8715     4.0576     2.4494     2.4495 
   C  14    6.0828     5.7616     1.0000     1.5059     3.4641     6.9282 
   C  15    4.8716     4.0576     2.3941     1.0000     2.4495     5.4773 
   C  16    1.7320     2.5036     6.9282     6.7029     4.3589     1.0000 
   C  17    3.1196     1.7320     5.7382     4.7883     3.4251     2.8754 
   C  18    6.9283     6.7029     1.7321     2.5036     4.3590     7.8103 
   C  19    5.7383     4.7883     3.1195     1.7320     3.4252     6.2607 
   H  20    2.1997     2.2716     2.9967     2.9527     0.6200     3.1022 
   H  21    2.9968     2.9527     2.1996     2.2716     0.6201     3.8918 
   H  22    1.0812     0.9207     5.7469     5.3120     3.1021     0.6200 
   H  23    1.5967     1.6768     6.5338     6.1072     3.8917     0.6199 
   H  24    2.2716     1.0812     4.2690     3.5204     1.8326     2.5786 
   H  25    2.9527     1.5968     4.6672     3.7113     2.4738     3.0676 
   H  26    6.5339     6.1072     1.5968     1.6768     3.8918     7.3422 
   H  27    5.7470     5.3120     1.0812     0.9207     3.1022     6.5469 
   H  28    4.6672     3.7112     2.9527     1.5968     2.4738     5.1797 
   H  29    4.2690     3.5203     2.2716     1.0813     1.8326     4.9059 
   H  30    6.0480     5.1992     2.7932     1.5200     3.5920     6.6398 
   H  31    6.2956     5.2859     3.6354     2.2901     4.0361     6.7752 
   H  32    5.4814     4.4263     3.5256     2.1114     3.3660     5.9223 
   H  33    6.6400     6.5354     1.5201     2.6113     4.1518     7.5558 
   H  34    7.4716     7.2943     2.2901     3.1229     4.9340     8.3705 
   H  35    7.2582     6.9220     2.1115     2.5468     4.6403     8.1044 
   H  36    3.5256     2.1114     5.4814     4.4264     3.3660     3.4038 
   H  37    3.6354     2.2901     6.2955     5.2859     4.0361     3.2678 
   H  38    2.7932     1.5200     6.0480     5.1993     3.5920     2.3913 
   H  39    2.1114     2.5468     7.2581     6.9220     4.6402     1.1766 
   H  40    2.2900     3.1229     7.4715     7.2943     4.9339     1.6199 
   H  41    1.5200     2.6113     6.6400     6.5354     4.1517     1.1766 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    5.4772     0.0000 
   C  15    3.4641     2.4494     0.0000 
   C  16    3.4252     7.8102     6.4600     0.0000 
   C  17    1.0000     6.2606     4.0576     3.7416     0.0000 
   C  18    6.4600     1.0001     3.4252     8.6603     7.2567     0.0000 
   C  19    4.0576     2.8753     1.0000     7.2567     4.4641     3.7416 
   H  20    2.5786     3.8917     3.0676     3.9317     3.5784     4.7288 
   H  21    3.0676     3.1021     2.5786     4.7288     4.0452     3.9317 
   H  22    1.8326     6.5468     4.9596     1.5968     2.2808     7.4597 
   H  23    2.4738     7.3421     5.7342     1.0812     2.6770     8.2506 
   H  24    0.6199     4.9059     3.0156     3.5784     1.5967     5.8804 
   H  25    0.6200     5.1797     3.0157     4.0452     1.0812     6.1756 
   H  26    5.7342     0.6200     2.4738     8.2506     6.4539     1.0812 
   H  27    4.9596     0.6199     1.8326     7.4597     5.7072     1.5968 
   H  28    3.0156     3.0676     0.6201     6.1755     3.5203     4.0452 
   H  29    3.0155     2.5786     0.6200     5.8804     3.7112     3.5785 
   H  30    4.5352     2.3913     1.1766     7.6269     5.0106     3.1954 
   H  31    4.4985     3.2678     1.6200     7.7743     4.8042     4.0510 
   H  32    3.6233     3.4038     1.1766     6.9222     3.9393     4.3079 
   H  33    6.3840     1.1767     3.5920     8.3675     7.2321     0.6201 
   H  34    7.0718     1.6200     4.0361     9.2024     7.8747     0.6200 
   H  35    6.5938     1.1767     3.3661     8.9864     7.3339     0.6200 
   H  36    1.1766     5.9223     3.6234     4.3079     0.6200     6.9223 
   H  37    1.6200     6.7751     4.4985     4.0510     0.6201     7.7743 
   H  38    1.1766     6.6398     4.5353     3.1953     0.6201     7.6270 
   H  39    3.3661     8.1043     6.5938     0.6200     3.5154     8.9864 
   H  40    4.0361     8.3704     7.0718     0.6200     4.3079     9.2024 
   H  41    3.5920     7.5557     6.3840     0.6201     4.0510     8.3675 

              C  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   C  19    0.0000 
   H  20    4.0452     0.0000 
   H  21    3.5784     0.7971     0.0000 
   H  22    5.7072     2.8311     3.5920     0.0000 
   H  23    6.4539     3.5920     4.3658     0.7971     0.0000 
   H  24    3.7113     2.0020     2.4519     2.0019     2.7433     0.0000 
   H  25    3.5204     2.7434     3.0871     2.4519     3.0871     0.7971 
   H  26    2.6770     4.3658     3.5920     6.9282     7.7253     5.1913 
   H  27    2.2808     3.5920     2.8311     6.1311     6.9282     4.4071 
   H  28    1.0812     3.0871     2.7434     4.6288     5.3808     2.6375 
   H  29    1.5967     2.4519     2.0019     4.4070     5.1912     2.5142 
   H  30    0.6200     4.2032     3.6405     6.1097     6.8750     4.1377 
   H  31    0.6201     4.6561     4.1984     6.2066     6.9352     4.2047 
   H  32    0.6201     3.9784     3.6229     5.3463     6.0670     3.3458 
   H  33    4.0510     4.4543     3.6649     7.2452     8.0265     5.7853 
   H  34    4.3079     5.2762     4.4810     8.0360     8.8238     6.4885 
   H  35    3.5154     5.0646     4.2724     7.7181     8.5141     6.0382 
   H  36    3.9394     3.6230     3.9785     2.7925     3.2585     1.6343 
   H  37    4.8042     4.1984     4.6561     2.7111     2.9699     2.2128 
   H  38    5.0107     3.6405     4.2033     1.8372     2.1174     1.7880 
   H  39    7.3339     4.2724     5.0646     1.6344     0.8924     3.6230 
   H  40    7.8747     4.4810     5.2762     2.2128     1.6309     4.1983 
   H  41    7.2321     3.6649     4.4543     1.7880     1.5201     3.6405 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    5.3809     0.0000 
   H  27    4.6289     0.7971     0.0000 
   H  28    2.5142     3.0871     2.4519     0.0000 
   H  29    2.6375     2.7434     2.0020     0.7971     0.0000 
   H  30    4.0292     2.1174     1.8372     1.5201     1.7880     0.0000 
   H  31    3.9297     2.9699     2.7111     1.6310     2.2128     0.8769 
   H  32    3.0528     3.2586     2.7925     0.8923     1.6343     1.2400 
   H  33    6.1550     1.5201     1.7880     4.2034     3.6406     3.5526 
   H  34    6.7936     1.6309     2.2128     4.6561     4.1984     3.7416 
   H  35    6.2579     0.8924     1.6344     3.9786     3.6231     2.9273 
   H  36    0.8923     6.0671     5.3464     3.0528     3.3458     4.5069 
   H  37    1.6309     6.9352     6.2066     3.9296     4.2046     5.3781 
   H  38    1.5201     6.8751     6.1098     4.0292     4.1377     5.5380 
   H  39    3.9785     8.5141     7.7181     6.2578     6.0381     7.7435 
   H  40    4.6560     8.8238     8.0360     6.7935     6.4884     8.2405 
   H  41    4.2033     8.0265     7.2452     6.1549     5.7852     7.5596 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    0.8769     0.0000 
   H  33    4.4261     4.5792     0.0000 
   H  34    4.5792     4.8872     0.8768     0.0000 
   H  35    3.7417     4.1130     1.2400     0.8768     0.0000 
   H  36    4.2433     3.3902     6.9446     7.5423     6.9555     0.0000 
   H  37    5.0841     4.2432     7.7761     8.3939     7.8219     0.8768 
   H  38    5.3782     4.5069     7.5597     8.2406     7.7436     1.2400 
   H  39    7.8219     6.9554     8.7266     9.5448     9.2803     4.1129 
   H  40    8.3939     7.5422     8.8901     9.7341     9.5448     4.8872 
   H  41    7.7761     6.9445     8.0403     8.8901     8.7266     4.5792 

              H  37      H  38      H  39      H  40      H  41
              -------------------------------------------------------
   H  37    0.0000 
   H  38    0.8769     0.0000 
   H  39    3.7417     2.9272     0.0000 
   H  40    4.5792     3.7416     0.8768     0.0000 
   H  41    4.4261     3.5526     1.2400     0.8768     0.0000 



ATOMIC CHARGES
   S   1   -0.0626386047
   S   2   -0.0626386047
   S   3    0.0031922894
   S   4    0.0031922894
   P   5    0.2299321110
   P   6    0.2299321110
   O   7   -0.3236195949
   O   8   -0.3236195949
   O   9   -0.3236195949
   O  10   -0.3236195949
   C  11    0.0568151141
   C  12    0.0525268644
   C  13    0.0525268644
   C  14    0.0525268644
   C  15    0.0525268644
   C  16   -0.0411278945
   C  17   -0.0411278945
   C  18   -0.0411278945
   C  19   -0.0411278945
   H  20    0.0498600421
   H  21    0.0498600421
   H  22    0.0561464535
   H  23    0.0561464535
   H  24    0.0561464535
   H  25    0.0561464535
   H  26    0.0561464535
   H  27    0.0561464535
   H  28    0.0561464535
   H  29    0.0561464535
   H  30    0.0251836736
   H  31    0.0251836736
   H  32    0.0251836736
   H  33    0.0251836736
   H  34    0.0251836736
   H  35    0.0251836736
   H  36    0.0251836736
   H  37    0.0251836736
   H  38    0.0251836736
   H  39    0.0251836736
   H  40    0.0251836736
   H  41    0.0251836736


BOND ANGLES
   5    1   11    P   S3   C3    119.999
   6    2   11    P   S3   C3    120.001
   1    5    3   S3    P   S2     90.000
   1    5    7   S3    P   O3    179.974
   1    5    8   S3    P   O3     90.000
   3    5    7   S2    P   O3     90.003
   3    5    8   S2    P   O3    179.974
   7    5    8   O3    P   O3     89.997
   2    6    4   S3    P   S2     90.000
   2    6    9   S3    P   O3    179.974
   2    6   10   S3    P   O3     90.000
   4    6    9   S2    P   O3     90.000
   4    6   10   S2    P   O3    179.974
   9    6   10   O3    P   O3     90.000
   5    7   12    P   O3   C3    120.001
   5    8   13    P   O3   C3    119.999
   6    9   14    P   O3   C3    119.999
   6   10   15    P   O3   C3    119.999
   1   11    2   S3   C3   S3    120.001
   1   11   20   S3   C3   HC     80.006
   1   11   21   S3   C3   HC    160.003
   2   11   20   S3   C3   HC    159.993
   2   11   21   S3   C3   HC     79.996
  20   11   21   HC   C3   HC     79.997
   7   12   16   O3   C3   C3    119.999
   7   12   22   O3   C3   HC     79.993
   7   12   23   O3   C3   HC    160.002
  16   12   22   C3   C3   HC    160.009
  16   12   23   C3   C3   HC     80.000
  22   12   23   HC   C3   HC     80.009
   8   13   17   O3   C3   C3    119.999
   8   13   24   O3   C3   HC     80.000
   8   13   25   O3   C3   HC    160.009
  17   13   24   C3   C3   HC    160.002
  17   13   25   C3   C3   HC     79.993
  24   13   25   HC   C3   HC     80.009
   9   14   18   O3   C3   C3    120.001
   9   14   26   O3   C3   HC    160.009
   9   14   27   O3   C3   HC     80.000
  18   14   26   C3   C3   HC     79.990
  18   14   27   C3   C3   HC    159.999
  26   14   27   HC   C3   HC     80.009
  10   15   19   O3   C3   C3    119.999
  10   15   28   O3   C3   HC    160.003
  10   15   29   O3   C3   HC     80.006
  19   15   28   C3   C3   HC     79.999
  19   15   29   C3   C3   HC    159.996
  28   15   29   HC   C3   HC     79.997
  12   16   39   C3   C3   HC     90.001
  12   16   40   C3   C3   HC    179.974
  12   16   41   C3   C3   HC     90.004
  39   16   40   HC   C3   HC     90.000
  39   16   41   HC   C3   HC    179.974
  40   16   41   HC   C3   HC     89.995
  13   17   36   C3   C3   HC     90.001
  13   17   37   C3   C3   HC    179.974
  13   17   38   C3   C3   HC     90.004
  36   17   37   HC   C3   HC     89.995
  36   17   38   HC   C3   HC    179.974
  37   17   38   HC   C3   HC     90.000
  14   18   33   C3   C3   HC     90.001
  14   18   34   C3   C3   HC    179.974
  14   18   35   C3   C3   HC     90.004
  33   18   34   HC   C3   HC     89.995
  33   18   35   HC   C3   HC    179.974
  34   18   35   HC   C3   HC     90.000
  15   19   30   C3   C3   HC     89.999
  15   19   31   C3   C3   HC    179.974
  15   19   32   C3   C3   HC     89.996
  30   19   31   HC   C3   HC     90.005
  30   19   32   HC   C3   HC    179.974
  31   19   32   HC   C3   HC     90.000


TORSION ANGLES
  11    1    5    3      0.026
  11    1    5    7    179.974
  11    1    5    8    179.974
   5    1   11    2    179.974
   5    1   11   20      0.026
   5    1   11   21      0.026
  11    2    6    4      0.026
  11    2    6    9      0.026
  11    2    6   10    179.974
   6    2   11    1    179.974
   6    2   11   20      0.026
   6    2   11   21      0.026
   1    5    7   12      0.026
   3    5    7   12    179.974
   8    5    7   12      0.026
   1    5    8   13      0.026
   3    5    8   13    180.000
   7    5    8   13    179.974
   2    6    9   14    179.974
   4    6    9   14    179.974
  10    6    9   14      0.026
   2    6   10   15      0.026
   4    6   10   15      0.026
   9    6   10   15    179.974
   5    7   12   16    179.974
   5    7   12   22      0.026
   5    7   12   23      0.026
   5    8   13   17    179.974
   5    8   13   24      0.026
   5    8   13   25      0.026
   6    9   14   18    179.974
   6    9   14   26      0.026
   6    9   14   27      0.026
   6   10   15   19    179.974
   6   10   15   28      0.026
   6   10   15   29      0.026
   7   12   16   39    179.974
   7   12   16   40      0.026
   7   12   16   41      0.026
  22   12   16   39      0.026
  22   12   16   40    179.974
  22   12   16   41    179.974
  23   12   16   39      0.026
  23   12   16   40    179.974
  23   12   16   41    179.974
   8   13   17   36    179.974
   8   13   17   37    179.974
   8   13   17   38      0.026
  24   13   17   36      0.026
  24   13   17   37      0.026
  24   13   17   38    179.974
  25   13   17   36      0.026
  25   13   17   37      0.026
  25   13   17   38    179.974
   9   14   18   33      0.026
   9   14   18   34      0.026
   9   14   18   35    179.974
  26   14   18   33    179.974
  26   14   18   34    179.974
  26   14   18   35      0.026
  27   14   18   33    179.974
  27   14   18   34    179.974
  27   14   18   35      0.026
  10   15   19   30      0.026
  10   15   19   31    179.974
  10   15   19   32    179.974
  28   15   19   30    179.974
  28   15   19   31      0.026
  28   15   19   32      0.026
  29   15   19   30    179.974
  29   15   19   31      0.026
  29   15   19   32      0.026