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S,S'-Dimethyl dithiocarbonate
S,S'-Dimethyl dithiocarbonate ID: API-42656
CAS:868-84-8
Supplier:APIchem

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SMILES:S(C(=O)SC)C	ChemMol.com
FORMULA: C3H6OS2
MASS: 122.2091
EXACT MASS: 121.9860068
INTERATOMIC DISTANCES

              S   1      S   2      O   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   S   2    1.7321     0.0000 
   O   3    1.7321     1.7320     0.0000 
   C   4    1.0001     1.0000     1.0000     0.0000 
   C   5    1.0000     2.6458     2.0000     1.7321     0.0000 
   C   6    2.6458     1.0000     2.0000     1.7320     3.4641     0.0000 
   H   7    1.1766     2.5121     1.4956     1.5201     0.6200     3.1995 
   H   8    1.6199     3.2380     2.3716     2.2901     0.6200     4.0130 
   H   9    1.1766     2.9083     2.5558     2.1115     0.6200     3.8121 
   H  10    2.9083     1.1766     2.5557     2.1114     3.8121     0.6200 
   H  11    3.2380     1.6199     2.3715     2.2900     4.0130     0.6200 
   H  12    2.5121     1.1766     1.4955     1.5200     3.1995     0.6200 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    0.8768     0.0000 
   H   9    1.2399     0.8768     0.0000 
   H  10    3.6267     4.3934     4.0841     0.0000 
   H  11    3.6980     4.5379     4.3934     0.8768     0.0000 
   H  12    2.8441     3.6980     3.6267     1.2399     0.8768     0.0000 




ATOMIC CHARGES
   S   1   -0.0800430461
   S   2   -0.0800430461
   O   3   -0.2727558674
   C   4    0.2459104631
   C   5   -0.0100272444
   C   6   -0.0100272444
   H   7    0.0344976642
   H   8    0.0344976642
   H   9    0.0344976642
   H  10    0.0344976642
   H  11    0.0344976642
   H  12    0.0344976642


BOND ANGLES
   4    1    5   C2   S3   C3    120.001
   4    2    6   C2   S3   C3    119.999
   1    4    2   S3   C2   S3    120.001
   1    4    3   S3   C2   O2    119.998
   2    4    3   S3   C2   O2    120.001
   1    5    7   S3   C3   HC     89.999
   1    5    8   S3   C3   HC    179.974
   1    5    9   S3   C3   HC     90.001
   7    5    8   HC   C3   HC     90.000
   7    5    9   HC   C3   HC    179.974
   8    5    9   HC   C3   HC     90.000
   2    6   10   S3   C3   HC     90.001
   2    6   11   S3   C3   HC    179.974
   2    6   12   S3   C3   HC     89.999
  10    6   11   HC   C3   HC     90.000
  10    6   12   HC   C3   HC    179.974
  11    6   12   HC   C3   HC     90.000


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