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2-Methylthio pyridine
2-Methylthio pyridine ID: B184412
CAS:18438-38-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(SC)cccc1	
FORMULA: C6H7NS
MASS: 125.1915
EXACT MASS: 125.0299202
INTERATOMIC DISTANCES

              N   1      C   2      S   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7447     0.0000 
   S   3    1.2875     0.7411     0.0000 
   C   4    0.7411     1.2875     1.9645     0.0000 
   C   5    1.2935     0.7500     1.2915     1.4900     0.0000 
   C   6    1.9693     1.2875     0.7468     2.5750     1.4879     0.0000 
   C   7    1.2843     1.4859     2.2270     0.7417     1.2875     2.6785 
   C   8    1.4875     1.2900     1.9673     1.2879     0.7426     2.2305 

              C   7      C   8
              ----------------------
   C   7    0.0000 
   C   8    0.7432     0.0000 



ATOMIC CHARGES
   N   1   -0.2376405373
   C   2    0.1067205182
   S   3   -0.0940359375
   C   4    0.0994172283
   C   5    0.0254932640
   C   6    0.0756703264
   C   7    0.0207160566
   C   8    0.0036590813


BOND ANGLES
   2    1    4  Car  Nar  Car    120.116
   1    2    3  Nar  Car   S3    120.116
   1    2    5  Nar  Car  Car    119.863
   3    2    5   S3  Car  Car    120.021
   2    3    6  Car   S3   C3    119.836
   1    4    7  Nar  Car  Car    120.021
   2    5    8  Car  Car  Car    119.589
   4    7    8  Car  Car  Car    120.301
   5    8    7  Car  Car  Car    120.110


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