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Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetraethyl-
Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetraethyl- ID: API-19299
CAS:97-77-8
Supplier:APIchem

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SMILES:S(SC(=S)N(CC)CC)C(=S)N(CC)CC	ChemMol.com
FORMULA: C10H20N2S4
MASS: 296.5392
EXACT MASS: 296.0509327
INTERATOMIC DISTANCES

              S   1      S   2      S   3      S   4      N   5      N   6
              ------------------------------------------------------------------
   S   1    0.0000 
   S   2    1.0000     0.0000 
   S   3    1.7321     2.0000     0.0000 
   S   4    2.0000     1.7320     3.6056     0.0000 
   N   5    1.7321     2.6458     1.7320     3.6055     0.0000 
   N   6    2.6458     1.7321     3.6056     1.7321     4.3590     0.0000 
   C   7    2.6458     3.4641     2.0000     4.5826     1.0000     5.1962 
   C   8    2.0000     3.0000     2.6457     3.4641     1.0000     4.5826 
   C   9    3.4641     2.6458     4.5826     2.0000     5.1962     1.0000 
   C  10    3.0000     2.0000     3.4642     2.6458     4.5826     1.0000 
   C  11    4.0000     3.0000     4.3590     3.4641     5.5678     1.7320 
   C  12    4.3589     3.4641     5.2915     3.0000     6.0828     1.7320 
   C  13    3.0000     4.0000     3.4641     4.3589     1.7320     5.5678 
   C  14    3.4641     4.3589     2.9999     5.2915     1.7320     6.0828 
   C  15    1.0001     1.7321     1.0000     3.0000     1.0000     3.4642 
   C  16    1.7320     1.0000     3.0000     1.0000     3.4641     1.0001 
   H  17    3.1671     2.1943     3.3039     3.1512     4.6148     1.5967 
   H  18    2.4267     1.4332     2.8556     2.4059     3.9716     1.0812 
   H  19    3.1021     2.4059     4.3997     1.4332     4.8210     1.0812 
   H  20    3.8917     3.1512     5.1245     2.1944     5.6148     1.5967 
   H  21    2.1943     3.1671     3.1512     3.3038     1.5967     4.6148 
   H  22    1.4332     2.4267     2.4059     2.8555     1.0812     3.9716 
   H  23    2.4060     3.1022     1.4332     4.3997     1.0812     4.8211 
   H  24    3.1512     3.8917     2.1943     5.1244     1.5967     5.6148 
   H  25    3.8121     4.6402     3.0633     5.7166     2.1114     6.3723 
   H  26    4.0131     4.9340     3.6200     5.7745     2.2901     6.6487 
   H  27    3.1995     4.1517     3.0633     4.9080     1.5200     5.8449 
   H  28    3.0634     4.0478     3.1995     4.6402     1.5200     5.6973 
   H  29    3.6200     4.6200     4.0130     4.9339     2.2900     6.1810 
   H  30    3.0634     4.0477     3.8121     4.1517     2.1114     5.5055 
   H  31    4.6402     3.8121     5.7167     3.0634     6.3723     2.1114 
   H  32    4.9339     4.0130     5.7745     3.6200     6.6486     2.2900 
   H  33    4.1517     3.1995     4.9081     3.0634     5.8449     1.5200 
   H  34    4.0478     3.0634     4.6403     3.1995     5.6973     1.5200 
   H  35    4.6200     3.6200     4.9340     4.0130     6.1810     2.2900 
   H  36    4.0477     3.0634     4.1518     3.8121     5.5055     2.1114 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    6.0828     5.2915     0.0000 
   C  10    5.2915     5.0001     1.7320     0.0000 
   C  11    6.2450     6.0000     2.0000     1.0000     0.0000 
   C  12    6.9282     6.2450     1.0000     2.0000     1.7320     0.0000 
   C  13    2.0000     1.0000     6.2450     6.0000     7.0000     7.2111 
   C  14    1.0000     2.0000     6.9282     6.2450     7.2111     7.8102 
   C  15    1.7320     1.7320     4.3590     3.6056     4.5826     5.1962 
   C  16    4.3589     3.6055     1.7321     1.7321     2.6458     2.6458 
   H  17    5.2293     5.1440     2.3451     0.6200     1.0813     2.5068 
   H  18    4.6716     4.4225     2.0295     0.6200     1.5968     2.5068 
   H  19    5.7469     4.8263     0.6200     2.0295     2.5068     1.5968 
   H  20    6.5338     5.6193     0.6199     2.3450     2.5068     1.0812 
   H  21    2.3451     0.6200     5.2293     5.1440     6.1381     6.2097 
   H  22    2.0295     0.6200     4.6716     4.4225     5.4215     5.6266 
   H  23    0.6199     2.0295     5.7470     4.8264     5.7557     6.5469 
   H  24    0.6199     2.3450     6.5338     5.6193     6.5415     7.3421 
   H  25    1.1766     2.5557     7.2581     6.4446     7.3846     8.1043 
   H  26    1.6200     2.3716     7.4716     6.8429     7.8144     8.3705 
   H  27    1.1766     1.4955     6.6399     6.1022     7.0878     7.5557 
   H  28    1.4956     1.1766     6.4446     6.0320     7.0274     7.3846 
   H  29    2.3716     1.6199     6.8428     6.6200     7.6200     7.8143 
   H  30    2.5558     1.1766     6.1022     6.0320     7.0274     7.0878 
   H  31    7.2581     6.4446     1.1766     2.5557     2.3520     0.6200 
   H  32    7.4715     6.8428     1.6199     2.3715     1.8396     0.6200 
   H  33    6.6399     6.1022     1.1766     1.4955     1.1121     0.6200 
   H  34    6.4446     6.0320     1.4956     1.1766     0.6200     1.1121 
   H  35    6.8428     6.6200     2.3716     1.6199     0.6200     1.8397 
   H  36    6.1022     6.0320     2.5558     1.1766     0.6200     2.3520 

              C  13      C  14      C  15      C  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.7320     0.0000 
   C  15    2.6457     2.6457     0.0000 
   C  16    4.5826     5.1961     2.6458     0.0000 
   H  17    6.1381     6.2097     3.6167     2.1829     0.0000 
   H  18    5.4215     5.6266     2.9899     1.4155     0.7971     0.0000 
   H  19    5.7556     6.5468     4.0507     1.4155     2.6462     2.1560 
   H  20    6.5415     7.3421     4.8282     2.1829     2.9532     2.6462 
   H  21    1.0813     2.5068     2.1828     3.6166     5.3564     4.5992 
   H  22    1.5968     2.5068     1.4155     2.9898     4.5992     3.8581 
   H  23    2.5068     1.5967     1.4155     4.0507     4.7175     4.2079 
   H  24    2.5068     1.0812     2.1828     4.8281     5.4954     5.0015 
   H  25    2.3520     0.6200     2.9082     5.5322     6.3511     5.8248 
   H  26    1.8397     0.6201     3.2380     5.7415     6.8205     6.2258 
   H  27    1.1121     0.6200     2.5120     4.9155     6.1282     5.4916 
   H  28    0.6200     1.1121     2.5121     4.7390     6.1077     5.4328 
   H  29    0.6200     1.8397     3.2379     5.1927     6.7553     6.0411 
   H  30    0.6200     2.3520     2.9083     4.5067     6.2304     5.4809 
   H  31    7.3846     8.1043     5.5323     2.9083     3.0941     3.0131 
   H  32    7.8143     8.3704     5.7415     3.2380     2.7883     2.9378 
   H  33    7.0878     7.5557     4.9156     2.5121     1.9400     2.0634 
   H  34    7.0274     7.3846     4.7391     2.5121     1.5201     1.7880 
   H  35    7.6200     7.8143     5.1928     3.2380     1.6309     2.2128 
   H  36    7.0274     7.0878     4.5068     2.9083     0.8924     1.6343 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.7971     0.0000 
   H  21    4.7174     5.4954     0.0000 
   H  22    4.2078     5.0015     0.7971     0.0000 
   H  23    5.4611     6.2332     2.6463     2.1561     0.0000 
   H  24    6.2331     7.0107     2.9532     2.6462     0.7970     0.0000 
   H  25    6.9140     7.7034     3.0941     3.0131     1.6343     0.8924 
   H  26    7.0685     7.8654     2.7884     2.9379     2.2128     1.6309 
   H  27    6.2199     7.0170     1.9400     2.0634     1.7879     1.5200 
   H  28    5.9935     6.7883     1.5201     1.7880     2.0634     1.9400 
   H  29    6.3426     7.1238     1.6309     2.2128     2.9378     2.7883 
   H  30    5.5768     6.3459     0.8924     1.6343     3.0131     3.0940 
   H  31    1.6344     0.8924     6.3511     5.8248     6.9141     7.7034 
   H  32    2.2128     1.6309     6.8204     6.2257     7.0685     7.8653 
   H  33    1.7880     1.5200     6.1282     5.4916     6.2200     7.0170 
   H  34    2.0635     1.9400     6.1077     5.4328     5.9936     6.7883 
   H  35    2.9378     2.7883     6.7553     6.0411     6.3427     7.1238 
   H  36    3.0131     3.0940     6.2304     5.4809     5.5769     6.3459 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    0.8768     0.0000 
   H  27    1.2399     0.8769     0.0000 
   H  28    1.7320     1.2733     0.4921     0.0000 
   H  29    2.4324     1.7321     1.2732     0.8768     0.0000 
   H  30    2.9720     2.4324     1.7320     1.2399     0.8768     0.0000 
   H  31    8.4337     8.6455     7.8102     7.6048     7.9747     7.2111 
   H  32    8.6454     8.9385     8.1334     7.9747     8.4200     7.7007 
   H  33    7.8102     8.1335     7.3448     7.2111     7.7007     7.0172 
   H  34    7.6048     7.9748     7.2111     7.1090     7.6452     7.0000 
   H  35    7.9747     8.4201     7.7007     7.6452     8.2400     7.6451 
   H  36    7.2111     7.7008     7.0172     7.0000     7.6451     7.1090 

              H  31      H  32      H  33      H  34      H  35      H  36
              ------------------------------------------------------------------
   H  31    0.0000 
   H  32    0.8768     0.0000 
   H  33    1.2399     0.8768     0.0000 
   H  34    1.7320     1.2732     0.4921     0.0000 
   H  35    2.4324     1.7320     1.2732     0.8768     0.0000 
   H  36    2.9720     2.4323     1.7320     1.2399     0.8768     0.0000 




ATOMIC CHARGES
   S   1   -0.0271240674
   S   2   -0.0271240674
   S   3   -0.0271240674
   S   4   -0.0271240674
   N   5   -0.3189161740
   N   6   -0.3189161740
   C   7    0.0102701687
   C   8    0.0102701687
   C   9    0.0102701687
   C  10    0.0102701687
   C  11   -0.0493436658
   C  12   -0.0493436658
   C  13   -0.0493436658
   C  14   -0.0493436658
   C  15    0.1199770203
   C  16    0.1199770203
   H  17    0.0461169149
   H  18    0.0461169149
   H  19    0.0461169149
   H  20    0.0461169149
   H  21    0.0461169149
   H  22    0.0461169149
   H  23    0.0461169149
   H  24    0.0461169149
   H  25    0.0244777705
   H  26    0.0244777705
   H  27    0.0244777705
   H  28    0.0244777705
   H  29    0.0244777705
   H  30    0.0244777705
   H  31    0.0244777705
   H  32    0.0244777705
   H  33    0.0244777705
   H  34    0.0244777705
   H  35    0.0244777705
   H  36    0.0244777705


BOND ANGLES
   2    1   15   S3   S3   C2    120.001
   1    2   16   S3   S3   C2    119.999
   7    5    8   C3  Nam   C3    120.001
   7    5   15   C3  Nam   C2    119.999
   8    5   15   C3  Nam   C2    120.001
   9    6   10   C3  Nam   C3    120.001
   9    6   16   C3  Nam   C2    120.001
  10    6   16   C3  Nam   C2    119.998
   5    7   14  Nam   C3   C3    119.999
   5    7   23  Nam   C3   HC     80.000
   5    7   24  Nam   C3   HC    160.002
  14    7   23   C3   C3   HC    160.002
  14    7   24   C3   C3   HC     80.000
  23    7   24   HC   C3   HC     80.002
   5    8   13  Nam   C3   C3    120.001
   5    8   21  Nam   C3   HC    159.996
   5    8   22  Nam   C3   HC     79.997
  13    8   21   C3   C3   HC     80.004
  13    8   22   C3   C3   HC    160.002
  21    8   22   HC   C3   HC     79.999
   6    9   12  Nam   C3   C3    119.999
   6    9   19  Nam   C3   HC     79.993
   6    9   20  Nam   C3   HC    160.002
  12    9   19   C3   C3   HC    160.009
  12    9   20   C3   C3   HC     80.000
  19    9   20   HC   C3   HC     80.009
   6   10   11  Nam   C3   C3    120.001
   6   10   17  Nam   C3   HC    159.996
   6   10   18  Nam   C3   HC     79.997
  11   10   17   C3   C3   HC     80.004
  11   10   18   C3   C3   HC    160.002
  17   10   18   HC   C3   HC     79.999
  10   11   34   C3   C3   HC     90.001
  10   11   35   C3   C3   HC    179.974
  10   11   36   C3   C3   HC     89.999
  34   11   35   HC   C3   HC     90.000
  34   11   36   HC   C3   HC    179.974
  35   11   36   HC   C3   HC     90.000
   9   12   31   C3   C3   HC     90.001
   9   12   32   C3   C3   HC    179.974
   9   12   33   C3   C3   HC     89.999
  31   12   32   HC   C3   HC     90.000
  31   12   33   HC   C3   HC    179.974
  32   12   33   HC   C3   HC     90.000
   8   13   28   C3   C3   HC     90.001
   8   13   29   C3   C3   HC    179.974
   8   13   30   C3   C3   HC     89.999
  28   13   29   HC   C3   HC     90.000
  28   13   30   HC   C3   HC    179.974
  29   13   30   HC   C3   HC     90.000
   7   14   25   C3   C3   HC     90.001
   7   14   26   C3   C3   HC    179.974
   7   14   27   C3   C3   HC     89.999
  25   14   26   HC   C3   HC     89.995
  25   14   27   HC   C3   HC    179.974
  26   14   27   HC   C3   HC     90.005
   1   15    3   S3   C2   S2    119.998
   1   15    5   S3   C2  Nam    120.001
   3   15    5   S2   C2  Nam    120.001
   2   16    4   S3   C2   S2    120.001
   2   16    6   S3   C2  Nam    120.001
   4   16    6   S2   C2  Nam    119.998


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