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Products Information

thiophene-3-carbonitrile
thiophene-3-carbonitrile ID: AN-49602
CAS:1641-09-4
Supplier:AN PharmaTech Co Ltd

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SMILES:s1cc(cc1)C#N	74231
FORMULA: C5H3NS
MASS: 109.1490
EXACT MASS: 108.9986201
INTERATOMIC DISTANCES

              S   1      N   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   N   2    3.5739     0.0000 
   C   3    1.6180     2.0000     0.0000 
   C   4    1.6180     2.7113     1.0000     0.0000 
   C   5    0.9999     2.7113     1.0000     1.6180     0.0000 
   C   6    0.9999     3.5740     1.6180     1.0000     1.6180     0.0000 
   C   7    2.5876     1.0000     1.0000     1.7820     1.7820     2.5876 
   H   8    2.2159     2.7745     1.4537     0.6200     2.2160     1.4538 
   H   9    1.4537     2.7745     1.4537     2.2160     0.6200     2.2160 
   H  10    1.4537     4.1319     2.2160     1.4537     2.2160     0.6200 

              C   7      H   8      H   9      H  10
              --------------------------------------------
   C   7    0.0000 
   H   8    1.9763     0.0000 
   H   9    1.9762     2.7973     0.0000 
   H  10    3.1609     1.7288     2.7974     0.0000 



ATOMIC CHARGES
   S   1   -0.1037663895
   N   2   -0.1908528467
   C   3    0.0587560152
   C   4   -0.0373205502
   C   5   -0.0069545804
   C   6   -0.0230817728
   C   7    0.0996853315
   H   8    0.0635621857
   H   9    0.0706122427
   H  10    0.0693603645


BOND ANGLES
   5    1    6  Car   S2  Car    108.007
   4    3    5  Car  Car  Car    107.998
   4    3    7  Car  Car   C1    126.001
   5    3    7  Car  Car   C1    126.000
   3    4    6  Car  Car  Car    107.998
   3    4    8  Car  Car   HC    125.997
   6    4    8  Car  Car   HC    126.004
   1    5    3   S2  Car  Car    107.998
   1    5    9   S2  Car   HC    126.013
   3    5    9  Car  Car   HC    125.989
   1    6    4   S2  Car  Car    107.998
   1    6   10   S2  Car   HC    126.013
   4    6   10  Car  Car   HC    125.989
   2    7    3   N1   C1  Car    179.974


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