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Ethyl dithioacetate
Ethyl dithioacetate ID: API-42669
CAS:870-73-5
Supplier:APIchem

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SMILES:S(CC)C(=S)C	ChemMol.com
FORMULA: C4H8S2
MASS: 120.2363
EXACT MASS: 120.0067423
INTERATOMIC DISTANCES

              S   1      S   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   S   2    1.7320     0.0000 
   C   3    1.0001     2.0000     0.0000 
   C   4    1.7321     3.0000     1.0000     0.0000 
   C   5    1.0000     1.0000     1.7321     2.6458     0.0000 
   C   6    1.7320     1.7320     2.6458     3.4641     1.0000     0.0000 
   H   7    1.0812     1.4333     0.6199     1.5967     1.4156     2.4060 
   H   8    1.5968     2.1944     0.6199     1.0812     2.1829     3.1512 
   H   9    2.1115     3.0634     1.1766     0.6200     2.9083     3.8121 
   H  10    2.2901     3.6200     1.6199     0.6200     3.2380     4.0130 
   H  11    1.5201     3.0634     1.1766     0.6200     2.5121     3.1995 
   H  12    1.5200     2.1114     2.5121     3.1995     1.1766     0.6200 
   H  13    2.2900     2.2900     3.2380     4.0130     1.6199     0.6200 
   H  14    2.1114     1.5200     2.9083     3.8121     1.1766     0.6200 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    0.7970     0.0000 
   H   9    1.6343     0.8924     0.0000 
   H  10    2.2127     1.6309     0.8768     0.0000 
   H  11    1.7879     1.5200     1.2399     0.8768     0.0000 
   H  12    2.4199     3.0828     3.6267     3.6980     2.8441     0.0000 
   H  13    3.0231     3.7599     4.3934     4.5379     3.6980     0.8768 
   H  14    2.5475     3.3355     4.0841     4.3934     3.6267     1.2399 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 



ATOMIC CHARGES
   S   1   -0.1224690197
   S   2   -0.0496640302
   C   3   -0.0043300381
   C   4   -0.0558481159
   C   5    0.0261632041
   C   6   -0.0269038557
   H   7    0.0377049310
   H   8    0.0377049310
   H   9    0.0237668905
   H  10    0.0237668905
   H  11    0.0237668905
   H  12    0.0287804406
   H  13    0.0287804406
   H  14    0.0287804406


BOND ANGLES
   3    1    5   C3   S3   C2    120.001
   1    3    4   S3   C3   C3    120.001
   1    3    7   S3   C3   HC     79.997
   1    3    8   S3   C3   HC    159.999
   4    3    7   C3   C3   HC    160.002
   4    3    8   C3   C3   HC     80.000
   7    3    8   HC   C3   HC     80.002
   3    4    9   C3   C3   HC     90.001
   3    4   10   C3   C3   HC    179.974
   3    4   11   C3   C3   HC     89.999
   9    4   10   HC   C3   HC     90.000
   9    4   11   HC   C3   HC    179.974
  10    4   11   HC   C3   HC     90.000
   1    5    2   S3   C2   S2    120.001
   1    5    6   S3   C2   C3    119.999
   2    5    6   S2   C2   C3    120.001
   5    6   12   C2   C3   HC     89.999
   5    6   13   C2   C3   HC    179.974
   5    6   14   C2   C3   HC     90.001
  12    6   13   HC   C3   HC     90.000
  12    6   14   HC   C3   HC    179.974
  13    6   14   HC   C3   HC     90.000


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