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1-Butanesulfonyl chloride
1-Butanesulfonyl chloride ID: API-45636
CAS:2386-60-9
Supplier:APIchem

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SMILES:ClS(=O)(=O)CCCC	ChemMol.com
FORMULA: C4H9ClO2S
MASS: 156.6311
EXACT MASS: 156.0011782
INTERATOMIC DISTANCES

             Cl   1      S   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   S   2    1.0000     0.0000 
   O   3    1.4142     1.0000     0.0000 
   O   4    1.4142     1.0000     2.0000     0.0000 
   C   5    2.6458     1.7321     2.3942     1.5060     0.0000 
   C   6    2.0000     1.0000     1.4142     1.4142     1.0001     0.0000 
   C   7    3.6055     2.6458     3.1196     2.5036     1.0000     1.7321 
   C   8    4.3589     3.4641     4.0576     3.0880     1.7320     2.6458 
   H   9    2.1997     1.4156     2.2716     0.9208     0.6199     1.0812 
   H  10    2.9967     2.1829     2.9526     1.6768     0.6199     1.5968 
   H  11    2.5913     1.5968     1.7680     1.9934     1.0812     0.6200 
   H  12    1.9884     1.0812     0.9736     1.8412     1.5968     0.6199 
   H  13    4.1346     3.1512     3.4983     3.1019     1.5967     2.1829 
   H  14    3.4019     2.4060     2.7018     2.5055     1.0812     1.4156 
   H  15    4.0203     3.1995     3.9142     2.6744     1.5200     2.5121 
   H  16    4.8708     4.0131     4.6522     3.5450     2.2901     3.2380 
   H  17    4.7545     3.8121     4.2868     3.5620     2.1114     2.9083 

              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     2.1828     0.0000 
   H  10    1.0812     1.4155     0.7970     0.0000 
   H  11    1.4155     2.4059     1.4514     1.6887     0.0000 
   H  12    2.1829     3.1512     1.6888     2.2063     0.7971     0.0000 
   H  13    0.6199     1.0812     2.2062     1.6887     1.7320     2.5291 
   H  14    0.6199     1.5967     1.6887     1.4514     0.9350     1.7321 
   H  15    1.1766     0.6200     1.8216     1.0254     2.4199     3.0828 
   H  16    1.6200     0.6201     2.6726     1.8778     3.0231     3.7600 
   H  17    1.1766     0.6200     2.6419     1.9300     2.5474     3.3355 

              H  13      H  14      H  15      H  16      H  17
              -------------------------------------------------------
   H  13    0.0000 
   H  14    0.7970     0.0000 
   H  15    1.5200     1.7879     0.0000 
   H  16    1.6309     2.2128     0.8769     0.0000 
   H  17    0.8924     1.6343     1.2399     0.8768     0.0000 



ATOMIC CHARGES
  Cl   1    0.0545601431
   S   2    0.0509179418
   O   3   -0.1581013325
   O   4   -0.1581013325
   C   5   -0.0324745355
   C   6    0.0822057972
   C   7   -0.0543935289
   C   8   -0.0652284676
   H   9    0.0281153774
   H  10    0.0281153774
   H  11    0.0514131885
   H  12    0.0514131885
   H  13    0.0263119553
   H  14    0.0263119553
   H  15    0.0229780908
   H  16    0.0229780908
   H  17    0.0229780908


BOND ANGLES
   1    2    3   Cl  So2   O2     90.000
   1    2    4   Cl  So2   O2     90.000
   1    2    6   Cl  So2   C3    179.974
   3    2    4   O2  So2   O2    179.974
   3    2    6   O2  So2   C3     90.000
   4    2    6   O2  So2   C3     90.000
   6    5    7   C3   C3   C3    120.001
   6    5    9   C3   C3   HC     79.997
   6    5   10   C3   C3   HC    159.999
   7    5    9   C3   C3   HC    160.002
   7    5   10   C3   C3   HC     80.000
   9    5   10   HC   C3   HC     80.002
   2    6    5  So2   C3   C3    120.001
   2    6   11  So2   C3   HC    160.009
   2    6   12  So2   C3   HC     80.000
   5    6   11   C3   C3   HC     79.990
   5    6   12   C3   C3   HC    159.999
  11    6   12   HC   C3   HC     80.009
   5    7    8   C3   C3   C3    119.999
   5    7   13   C3   C3   HC    160.002
   5    7   14   C3   C3   HC     80.000
   8    7   13   C3   C3   HC     80.000
   8    7   14   C3   C3   HC    160.002
  13    7   14   HC   C3   HC     80.002
   7    8   15   C3   C3   HC     89.999
   7    8   16   C3   C3   HC    179.974
   7    8   17   C3   C3   HC     90.001
  15    8   16   HC   C3   HC     90.005
  15    8   17   HC   C3   HC    179.974
  16    8   17   HC   C3   HC     89.995


TORSION ANGLES
   1    2    6    5    180.000
   1    2    6   11    180.000
   1    2    6   12    180.000
   3    2    6    5    179.974
   3    2    6   11      0.026
   3    2    6   12      0.026
   4    2    6    5      0.026
   4    2    6   11    179.974
   4    2    6   12    179.974
   7    5    6    2    179.974
   7    5    6   11      0.026
   7    5    6   12      0.026
   9    5    6    2      0.026
   9    5    6   11    179.974
   9    5    6   12    179.974
  10    5    6    2      0.026
  10    5    6   11    179.974
  10    5    6   12    179.974
   6    5    7    8    179.974
   6    5    7   13      0.026
   6    5    7   14      0.026
   9    5    7    8      0.026
   9    5    7   13    179.974
   9    5    7   14    179.974
  10    5    7    8      0.026
  10    5    7   13    179.974
  10    5    7   14    179.974
   5    7    8   15      0.026
   5    7    8   16    179.974
   5    7    8   17    179.974
  13    7    8   15    179.974
  13    7    8   16      0.026
  13    7    8   17      0.026
  14    7    8   15    179.974
  14    7    8   16      0.026
  14    7    8   17      0.026