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2-Pyridinyl disulfide
2-Pyridinyl disulfide ID: B184411
CAS:2127-03-9
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(ncccc1)SSc1ncccc1	
FORMULA: C10H8N2S2
MASS: 220.3139
EXACT MASS: 220.0128903
INTERATOMIC DISTANCES

              C   1      C   2      N   3      N   4      S   5      S   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.9670     0.0000 
   N   3    0.7411     2.5750     0.0000 
   N   4    2.2213     0.7458     2.6706     0.0000 
   S   5    0.7483     1.2833     1.2917     1.4729     0.0000 
   S   6    1.2875     0.7426     1.9653     1.2822     0.7396     0.0000 
   C   7    1.2875     3.2411     0.7447     3.3983     1.9727     2.5750 
   C   8    2.9675     1.2843     3.4009     0.7463     2.2192     1.9610 
   C   9    0.7500     2.2305     1.2915     2.6756     1.2956     1.4879 
   C  10    2.5708     0.7396     3.2353     1.2935     1.9587     1.2833 
   C  11    3.3956     1.4766     3.9226     1.2875     2.6642     2.2192 
   C  12    1.4859     3.4048     1.2864     3.7071     2.2342     2.6785 
   C  13    3.2324     1.2792     3.8542     1.4900     2.5625     1.9588 
   C  14    1.2879     2.9696     1.4875     3.3968     1.9701     2.2270 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    4.1346     0.0000 
   C   9    1.4900     3.4031     0.0000 
   C  10    3.8583     1.4875     2.6745     0.0000 
   C  11    4.6325     0.7396     3.7071     1.2843     0.0000 
   C  12    0.7417     4.4534     1.2875     3.9266     4.8623     0.0000 
   C  13    4.5142     1.2859     3.3983     0.7411     0.7417     4.6325 
   C  14    1.2900     4.1309     0.7391     3.3970     4.4462     0.7468 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    4.1268     0.0000 



ATOMIC CHARGES
   C   1    0.1167249503
   C   2    0.1167249503
   N   3   -0.2368440788
   N   4   -0.2368440788
   S   5   -0.0300253691
   S   6   -0.0300253691
   C   7    0.0994462232
   C   8    0.0994462232
   C   9    0.0262970101
   C  10    0.0262970101
   C  11    0.0207167459
   C  12    0.0207167459
   C  13    0.0036845184
   C  14    0.0036845184


BOND ANGLES
   3    1    5  Nar  Car   S3    120.276
   3    1    9  Nar  Car  Car    120.021
   5    1    9   S3  Car  Car    119.703
   4    2    6  Nar  Car   S3    118.951
   6    2   10   S3  Car  Car    119.946
   4    2   10  Nar  Car  Car    121.103
   1    3    7  Car  Nar  Car    120.116
   2    4    8  Car  Nar  Car    118.792
   1    5    6  Car   S3   S3    119.831
   2    6    5  Car   S3   S3    119.946
   3    7   12  Nar  Car  Car    119.863
   4    8   11  Nar  Car  Car    120.105
   1    9   14  Car  Car  Car    119.746
   2   10   13  Car  Car  Car    119.513
   8   11   13  Car  Car  Car    120.466
   7   12   14  Car  Car  Car    120.143
  10   13   11  Car  Car  Car    120.021
   9   14   12  Car  Car  Car    120.111


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