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2-Ethyl-4,5-dimethylthiazole
2-Ethyl-4,5-dimethylthiazole ID: API-42693
CAS:873-64-3
Supplier:APIchem

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SMILES:CCc1nc(C)cs1	ChemMol.com
FORMULA: C6H9NS
MASS: 127.2074
EXACT MASS: 127.0455703
INTERATOMIC DISTANCES

              C   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8250     0.0000 
   C   3    1.4290     0.8250     0.0000 
   N   4    2.2082     1.4701     0.8250     0.0000 
   C   5    2.7488     2.1348     1.3349     0.8251     0.0000 
   C   6    3.5603     2.9041     2.1348     1.4702     0.8250     0.0000 
   C   7    2.5252     2.1348     1.3349     1.3349     0.8250     1.4701 
   S   8    1.7230     1.4702     0.8250     1.3349     1.3350     2.1348 

              C   7      S   8
              ----------------------
   C   7    0.0000 
   S   8    0.8251     0.0000 



ATOMIC CHARGES
   C   1    0.0072641153
   C   2    0.0525729880
   C   3    0.0878300935
   N   4   -0.2470039564
   C   5    0.0660335021
   C   6    0.0526502662
   C   7    0.0512424644
   S   8   -0.0705894731


BOND ANGLES
   1    2    3   C3   C3  Car    119.999
   2    3    4   C3  Car  Nar    126.000
   2    3    8   C3  Car   S2    125.996
   4    3    8  Nar  Car   S2    108.003
   3    4    5  Car  Nar  Car    108.005
   4    5    6  Nar  Car   C3    126.004
   4    5    7  Nar  Car  Car    107.996
   6    5    7   C3  Car  Car    126.000
   5    7    8  Car  Car   S2    108.002
   3    8    7  Car   S2  Car    107.994


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