Sign In Join Free

Products Information

oxathiane 2,2-dioxide
oxathiane 2,2-dioxide ID: AN-19774
CAS:1633-83-6
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:S1(=O)(=O)OCCCC1	15411
FORMULA: C4H8O3S
MASS: 136.1695
EXACT MASS: 136.0194151
INTERATOMIC DISTANCES

              S   1      O   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   O   2    1.0000     0.0000 
   O   3    1.0000     1.4142     0.0000 
   O   4    1.0000     1.9318     1.0000     0.0000 
   C   5    1.7320     2.0000     2.7320     2.3941     0.0000 
   C   6    1.0000     1.7320     1.9318     1.4142     1.0000     0.0000 
   C   7    2.0000     1.7320     2.9093     2.9093     1.0000     1.7320 
   C   8    1.7320     1.0000     2.3941     2.7320     1.7320     2.0000 
   H   9    2.0296     2.5068     3.0012     2.4605     0.6200     1.0813 
   H  10    2.3451     2.5068     3.3443     3.0047     0.6200     1.5967 
   H  11    1.0813     2.0295     1.7618     0.9736     1.5967     0.6200 
   H  12    1.5968     2.3451     2.4655     1.7679     1.0812     0.6200 
   H  13    2.5069     2.3452     3.4597     3.3425     1.0812     2.0296 
   H  14    2.5069     2.0296     3.3425     3.4597     1.5967     2.3451 
   H  15    2.3451     1.5967     3.0047     3.3443     2.0294     2.5067 
   H  16    2.0296     1.0813     2.4605     3.0012     2.3451     2.5068 

              C   7      C   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   H   9    1.5967     2.3451     0.0000 
   H  10    1.0813     2.0295     0.7970     0.0000 
   H  11    2.3451     2.5068     1.5279     2.1652     0.0000 
   H  12    2.0295     2.5068     0.7847     1.5278     0.7971     0.0000 
   H  13    0.6201     1.5968     1.5278     0.7847     2.6463     2.1561 
   H  14    0.6200     1.0813     2.1652     1.5278     2.9532     2.6463 
   H  15    1.0812     0.6200     2.6462     2.1561     3.0556     2.9498 
   H  16    1.5967     0.6200     2.9532     2.6463     2.9499     3.0557 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    0.7971     0.0000 
   H  15    1.5278     0.7847     0.0000 
   H  16    2.1653     1.5278     0.7970     0.0000 



ATOMIC CHARGES
   S   1    0.0821339748
   O   2   -0.2384494489
   O   3   -0.1472185726
   O   4   -0.1472185726
   C   5   -0.0290280073
   C   6    0.0929167982
   C   7   -0.0256425375
   C   8    0.0765681522
   H   9    0.0282322683
   H  10    0.0282322683
   H  11    0.0525286485
   H  12    0.0525286485
   H  13    0.0288524417
   H  14    0.0288524417
   H  15    0.0583557485
   H  16    0.0583557485


BOND ANGLES
   2    1    3   O3  So2   O2     90.000
   2    1    4   O3  So2   O2    150.001
   2    1    6   O3  So2   C3    119.999
   3    1    4   O2  So2   O2     60.001
   3    1    6   O2  So2   C3    150.001
   4    1    6   O2  So2   C3     90.000
   1    2    8  So2   O3   C3    120.001
   6    5    7   C3   C3   C3    120.001
   6    5    9   C3   C3   HC     80.006
   6    5   10   C3   C3   HC    159.996
   7    5    9   C3   C3   HC    159.993
   7    5   10   C3   C3   HC     80.004
   9    5   10   HC   C3   HC     79.990
   1    6    5  So2   C3   C3    120.001
   1    6   11  So2   C3   HC     80.004
   1    6   12  So2   C3   HC    160.002
   5    6   11   C3   C3   HC    159.996
   5    6   12   C3   C3   HC     79.997
  11    6   12   HC   C3   HC     79.999
   5    7    8   C3   C3   C3    119.999
   5    7   13   C3   C3   HC     79.999
   5    7   14   C3   C3   HC    159.996
   8    7   13   C3   C3   HC    160.003
   8    7   14   C3   C3   HC     80.006
  13    7   14   HC   C3   HC     79.997
   2    8    7   O3   C3   C3    120.001
   2    8   15   O3   C3   HC    160.004
   2    8   16   O3   C3   HC     80.006
   7    8   15   C3   C3   HC     79.995
   7    8   16   C3   C3   HC    159.993
  15    8   16   HC   C3   HC     79.998


TORSION ANGLES
   3    1    2    8    179.974
   4    1    2    8    179.974
   6    1    2    8      0.026
   2    1    6    5      0.026
   2    1    6   11    179.974
   2    1    6   12    179.974
   3    1    6    5    179.974
   3    1    6   11      0.026
   3    1    6   12      0.026
   4    1    6    5    179.974
   4    1    6   11      0.026
   4    1    6   12      0.026
   1    2    8    7      0.026
   1    2    8   15    179.974
   1    2    8   16    179.974
   7    5    6    1      0.026
   7    5    6   11    179.974
   7    5    6   12    179.974
   9    5    6    1    179.974
   9    5    6   11      0.026
   9    5    6   12      0.026
  10    5    6    1    179.974
  10    5    6   11      0.026
  10    5    6   12      0.026
   6    5    7    8      0.026
   6    5    7   13    179.974
   6    5    7   14    179.974
   9    5    7    8    179.974
   9    5    7   13      0.026
   9    5    7   14      0.026
  10    5    7    8    179.974
  10    5    7   13      0.026
  10    5    7   14      0.026
   5    7    8    2      0.026
   5    7    8   15    179.974
   5    7    8   16    179.974
  13    7    8    2    179.974
  13    7    8   15      0.026
  13    7    8   16      0.026
  14    7    8    2    179.974
  14    7    8   15      0.026
  14    7    8   16      0.026