Sign In Join Free

Products Information

2-(2-Pyridyl)thiazole
2-(2-Pyridyl)thiazole ID: API-45728
CAS:2433-17-2
Supplier:APIchem

Get a quote


SMILES:c1(nccs1)c1ncccc1	ChemMol.com
FORMULA: C8H6N2S
MASS: 162.2116
EXACT MASS: 162.0251692
INTERATOMIC DISTANCES

              C   1      N   2      S   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.2491     0.0000 
   S   3    1.2478     2.0160     0.0000 
   C   4    1.2491     2.2274     2.2264     0.0000 
   C   5    2.0228     1.2500     2.0160     3.2344     0.0000 
   N   6    2.1599     2.6065     3.3401     1.2478     3.8218     0.0000 
   C   7    2.0250     2.0228     1.2478     3.2358     1.2491     4.1619 
   C   8    3.3089     3.8632     4.3927     2.1680     5.0721     1.2570 
   C   9    2.1624     3.3422     2.6133     1.2447     4.1625     2.1584 
   C  10    3.7448     4.5920     4.5947     2.4957     5.7029     2.1624 
   C  11    3.3050     4.3884     3.8622     2.1624     5.3276     2.4975 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    5.3337     0.0000 
   C   9    3.8274     2.4962     0.0000 
   C  10    5.7055     1.2430     2.1599     0.0000 
   C  11    5.0701     2.1610     1.2491     1.2478     0.0000 



ATOMIC CHARGES
   C   1    0.1283761072
   N   2   -0.2352490378
   S   3   -0.0644115794
   C   4    0.1050297479
   C   5    0.1064955152
   N   6   -0.2417958978
   C   7    0.0575562780
   C   8    0.0989033244
   C   9    0.0212083976
   C  10    0.0206815889
   C  11    0.0032055558


BOND ANGLES
   2    1    3  Nar  Car   S2    107.689
   2    1    4  Nar  Car  Car    126.145
   3    1    4   S2  Car  Car    126.166
   1    2    5  Car  Nar  Car    108.072
   1    3    7  Car   S2  Car    108.477
   1    4    6  Car  Car  Nar    119.770
   1    4    9  Car  Car  Car    120.247
   6    4    9  Nar  Car  Car    119.983
   2    5    7  Nar  Car  Car    108.072
   4    6    8  Car  Nar  Car    119.887
   3    7    5   S2  Car  Car    107.689
   6    8   10  Nar  Car  Car    119.756
   4    9   11  Car  Car  Car    120.247
   8   10   11  Car  Car  Car    120.357
   9   11   10  Car  Car  Car    119.770


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