Sign In Join Free

Products Information

3-chloropropane-1-sulfonyl chloride
3-chloropropane-1-sulfonyl chloride ID: AN-49586
CAS:1633-82-5
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:ClS(=O)(=O)CCCCl	15410
FORMULA: C3H6Cl2O2S
MASS: 177.0495
EXACT MASS: 175.9465558
INTERATOMIC DISTANCES

             Cl   1     Cl   2      S   3      O   4      O   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
  Cl   2    4.3589     0.0000 
   S   3    1.0000     3.4641     0.0000 
   O   4    1.4142     4.0576     1.0000     0.0000 
   O   5    1.4142     3.0880     1.0000     2.0000     0.0000 
   C   6    2.0000     2.6458     1.0000     1.4142     1.4142     0.0000 
   C   7    2.6458     1.7320     1.7321     2.3942     1.5060     1.0001 
   C   8    3.6055     1.0000     2.6458     3.1196     2.5036     1.7321 
   H   9    2.5913     2.4059     1.5968     1.7680     1.9934     0.6200 
   H  10    1.9884     3.1512     1.0812     0.9736     1.8412     0.6199 
   H  11    2.1997     2.1828     1.4156     2.2716     0.9208     1.0812 
   H  12    2.9967     1.4155     2.1829     2.9526     1.6768     1.5968 
   H  13    4.1346     1.0812     3.1512     3.4983     3.1019     2.1829 
   H  14    3.4019     1.5967     2.4060     2.7018     2.5055     1.4156 

              C   7      C   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   H   9    1.0812     1.4155     0.0000 
   H  10    1.5968     2.1829     0.7971     0.0000 
   H  11    0.6199     1.5967     1.4514     1.6888     0.0000 
   H  12    0.6199     1.0812     1.6887     2.2063     0.7970     0.0000 
   H  13    1.5967     0.6199     1.7320     2.5291     2.2062     1.6887 
   H  14    1.0812     0.6199     0.9350     1.7321     1.6887     1.4514 

              H  13      H  14
              ----------------------
   H  13    0.0000 
   H  14    0.7970     0.0000 



ATOMIC CHARGES
  Cl   1    0.0545606479
  Cl   2   -0.1253615013
   S   3    0.0509548099
   O   4   -0.1581008695
   O   5   -0.1581008695
   C   6    0.0832790267
   C   7   -0.0187461300
   C   8    0.0241193829
   H   9    0.0514498660
   H  10    0.0514498660
   H  11    0.0292552180
   H  12    0.0292552180
   H  13    0.0429926674
   H  14    0.0429926674


BOND ANGLES
   1    3    4   Cl  So2   O2     90.000
   1    3    5   Cl  So2   O2     90.000
   1    3    6   Cl  So2   C3    179.974
   4    3    5   O2  So2   O2    179.974
   4    3    6   O2  So2   C3     90.000
   5    3    6   O2  So2   C3     90.000
   3    6    7  So2   C3   C3    120.001
   3    6    9  So2   C3   HC    160.009
   3    6   10  So2   C3   HC     80.000
   7    6    9   C3   C3   HC     79.990
   7    6   10   C3   C3   HC    159.999
   9    6   10   HC   C3   HC     80.009
   6    7    8   C3   C3   C3    120.001
   6    7   11   C3   C3   HC     79.997
   6    7   12   C3   C3   HC    159.999
   8    7   11   C3   C3   HC    160.002
   8    7   12   C3   C3   HC     80.000
  11    7   12   HC   C3   HC     80.002
   2    8    7   Cl   C3   C3    119.999
   2    8   13   Cl   C3   HC     80.000
   2    8   14   Cl   C3   HC    160.002
   7    8   13   C3   C3   HC    160.002
   7    8   14   C3   C3   HC     80.000
  13    8   14   HC   C3   HC     80.002


TORSION ANGLES
   1    3    6    7    180.000
   1    3    6    9    180.000
   1    3    6   10    180.000
   4    3    6    7    179.974
   4    3    6    9      0.026
   4    3    6   10      0.026
   5    3    6    7      0.026
   5    3    6    9    179.974
   5    3    6   10    179.974
   3    6    7    8    179.974
   3    6    7   11      0.026
   3    6    7   12      0.026
   9    6    7    8      0.026
   9    6    7   11    179.974
   9    6    7   12    179.974
  10    6    7    8      0.026
  10    6    7   11    179.974
  10    6    7   12    179.974
   6    7    8    2    179.974
   6    7    8   13      0.026
   6    7    8   14      0.026
  11    7    8    2      0.026
  11    7    8   13    179.974
  11    7    8   14    179.974
  12    7    8    2      0.026
  12    7    8   13    179.974
  12    7    8   14    179.974