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Chloromethyl methyl sulfide
Chloromethyl methyl sulfide ID: API-45602
CAS:2373-51-5
Supplier:APIchem

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SMILES:ClCSC	ChemMol.com
FORMULA: C2H5ClS
MASS: 96.5791
EXACT MASS: 95.9800488
INTERATOMIC DISTANCES

             Cl   1      S   2      C   3      C   4      H   5      H   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   S   2    1.7321     0.0000 
   C   3    1.0001     1.0000     0.0000 
   C   4    2.6458     1.0000     1.7320     0.0000 
   H   5    1.0812     1.5968     0.6200     2.1829     0.0000 
   H   6    1.5968     1.0812     0.6199     1.4155     0.7971     0.0000 
   H   7    2.5121     1.1766     1.5200     0.6200     1.8217     1.0254 
   H   8    3.2380     1.6199     2.2900     0.6200     2.6726     1.8777 
   H   9    2.9083     1.1766     2.1114     0.6200     2.6420     1.9300 

              H   7      H   8      H   9
              ---------------------------------
   H   7    0.0000 
   H   8    0.8768     0.0000 
   H   9    1.2399     0.8768     0.0000 



ATOMIC CHARGES
  Cl   1   -0.1138401115
   S   2   -0.1482010589
   C   3    0.0681849399
   C   4   -0.0169814325
   H   5    0.0542919464
   H   6    0.0542919464
   H   7    0.0340845901
   H   8    0.0340845901
   H   9    0.0340845901


BOND ANGLES
   3    2    4   C3   S3   C3    119.999
   1    3    2   Cl   C3   S3    120.001
   1    3    5   Cl   C3   HC     79.990
   1    3    6   Cl   C3   HC    159.999
   2    3    5   S3   C3   HC    160.009
   2    3    6   S3   C3   HC     80.000
   5    3    6   HC   C3   HC     80.009
   2    4    7   S3   C3   HC     89.999
   2    4    8   S3   C3   HC    179.974
   2    4    9   S3   C3   HC     90.001
   7    4    8   HC   C3   HC     90.000
   7    4    9   HC   C3   HC    179.974
   8    4    9   HC   C3   HC     90.000


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