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2-Mercaptoacetanilide N-phenyl-2-sulfanylacetamide
2-Mercaptoacetanilide
N-phenyl-2-sulfanylacetamide ID: BBC/447
CAS:4822-44-0
Supplier:Aronis

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SMILES:C(=O)(Nc1ccccc1)CS	
FORMULA: C8H9NOS
MASS: 167.2282
EXACT MASS: 167.0404849
INTERATOMIC DISTANCES

              C   1      N   2      O   3      C   4      S   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.3235     0.0000 
   O   3    1.3333     2.3013     0.0000 
   C   4    2.3000     1.3371     2.6523     0.0000 
   S   5    2.3042     3.5130     2.6621     4.6042     0.0000 
   C   6    1.3308     2.3000     2.3055     3.5195     1.3272     0.0000 
   C   7    3.5117     2.3085     3.9748     1.3225     5.7930     4.6084 
   C   8    2.6426     2.2988     2.2791     1.3252     4.7745     3.9734 
   C   9    3.9695     3.5152     3.4851     2.2978     6.0672     5.3002 
   C  10    4.6002     3.5252     4.7779     2.3002     6.9043     5.7971 
   C  11    4.7851     3.9960     4.5835     2.6589     7.0234     6.0885 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    2.2946     0.0000 
   C   9    2.6545     1.3270     0.0000 
   C  10    1.3299     2.6582     2.3060     0.0000 
   C  11    2.3041     2.3045     1.3335     1.3335     0.0000 



ATOMIC CHARGES
   C   1    0.2574273429
   N   2   -0.1784457030
   O   3   -0.2719985847
   C   4    0.0733915428
   S   5   -0.0717642440
   C   6    0.1554405052
   C   7    0.0165973852
   C   8    0.0165973852
   C   9    0.0013346955
   C  10    0.0013346955
   C  11    0.0000849794


BOND ANGLES
   2    1    3  Nam   C2   O2    120.036
   2    1    6  Nam   C2   C3    120.108
   3    1    6   O2   C2   C3    119.855
   1    2    4   C2  Nam  Car    119.644
   2    4    7  Nam  Car  Car    120.446
   2    4    8  Nam  Car  Car    119.416
   7    4    8  Car  Car  Car    120.138
   1    6    5   C2   C3   S3    120.199
   4    7   10  Car  Car  Car    120.266
   4    8    9  Car  Car  Car    120.090
   8    9   11  Car  Car  Car    120.041
   7   10   11  Car  Car  Car    119.783
   9   11   10  Car  Car  Car    119.683


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