Sign In Join Free

Products Information

2-Chlorobenzothiazo-6-amine
2-Chlorobenzothiazo-6-amine ID: API-45679
CAS:2406-90-8
Supplier:APIchem

Get a quote


SMILES:s1c(nc2c1cc(cc2)N)Cl	ChemMol.com
FORMULA: C7H5ClN2S
MASS: 184.6460
EXACT MASS: 183.9861968
INTERATOMIC DISTANCES

              S   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   C   2    1.5230     0.0000 
   N   3    2.4643     1.5231     0.0000 
   C   4    2.4643     2.4643     1.5231     0.0000 
   C   5    1.5230     2.4643     2.4643     1.5230     0.0000 
   C   6    3.9051     3.9667     2.7827     1.5230     2.6379     0.0000 
   C   7    4.5468     5.0395     4.1134     2.6379     3.0460     1.5230 
   C   8    4.1134     5.0395     4.5468     3.0460     2.6379     2.6379 
   C   9    2.7827     3.9667     3.9051     2.6379     1.5230     3.0460 
  Cl  10    2.7140     1.5230     2.7140     3.9410     3.9410     5.4047 
   N  11    5.4132     6.4821     6.0671     4.5690     4.0295     4.0295 

              C   7      C   8      C   9     Cl  10      N  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    1.5230     0.0000 
   C   9    2.6379     1.5230     0.0000 
  Cl  10    6.5490     6.5490     5.4047     0.0000 
   N  11    2.6379     1.5230     2.6379     7.9705     0.0000 



ATOMIC CHARGES
   S   1   -0.0550899652
   C   2    0.1682275584
   N   3   -0.2269416228
   C   4    0.0889346496
   C   5    0.0506602553
   C   6    0.0210409820
   C   7    0.0196338213
   C   8    0.0896879110
   C   9    0.0261092689
  Cl  10   -0.0542235219
   N  11   -0.1280393364


BOND ANGLES
   2    1    5  Car   S2  Car    108.002
   1    2    3   S2  Car  Nar    108.001
   1    2   10   S2  Car   Cl    126.001
   3    2   10  Nar  Car   Cl    125.999
   2    3    4  Car  Nar  Car    107.997
   3    4    5  Nar  Car  Car    108.002
   3    4    6  Nar  Car  Car    131.999
   5    4    6  Car  Car  Car    119.999
   1    5    4   S2  Car  Car    107.998
   4    5    9  Car  Car  Car    119.999
   1    5    9   S2  Car  Car    132.002
   4    6    7  Car  Car  Car    120.000
   6    7    8  Car  Car  Car    120.001
   7    8    9  Car  Car  Car    120.001
   7    8   11  Car  Car  Npl    119.999
   9    8   11  Car  Car  Npl    120.000
   5    9    8  Car  Car  Car    120.000


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