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Products Information

1,3-BENZOTHIAZOL-5-AMINE
1,3-BENZOTHIAZOL-5-AMINE
ID: BP-11254
CAS:1123-93-9
Supplier:BroadPharm

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SMILES:n1c2cc(N)ccc2sc1	
FORMULA: C7H6N2S
MASS: 150.2009
EXACT MASS: 150.0251692
INTERATOMIC DISTANCES

              N   1      C   2      C   3      S   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    1.2491     0.0000 
   C   3    1.2478     2.0160     0.0000 
   S   4    2.0250     2.0228     1.2478     0.0000 
   C   5    2.2874     1.2543     3.2539     3.2085     0.0000 
   C   6    2.0228     1.2500     2.0160     1.2491     2.1676     0.0000 
   C   7    3.2085     2.1676     3.2539     2.2874     2.5000     1.2543 
   C   8    3.3806     2.1708     4.1350     3.7363     1.2507     2.5050 
   N   9    4.4439     3.3096     5.3158     4.9810     2.1625     3.7521 
   C  10    3.7363     2.5050     4.1350     3.3806     2.1654     2.1708 

              C   7      C   8      N   9      C  10
              --------------------------------------------
   C   7    0.0000 
   C   8    2.1654     0.0000 
   N   9    3.3055     1.2471     0.0000 
   C  10    1.2507     1.2500     2.1634     0.0000 



ATOMIC CHARGES
   N   1   -0.2362330456
   C   2    0.0892712120
   C   3    0.1344632362
   S   4   -0.0645084806
   C   5    0.0376701866
   C   6    0.0486352455
   C   7    0.0094161812
   C   8    0.0906239984
   N   9   -0.1280061645
   C  10    0.0186676308


BOND ANGLES
   2    1    3  Car  Nar  Car    107.689
   1    2    5  Nar  Car  Car    132.041
   1    2    6  Nar  Car  Car    108.072
   5    2    6  Car  Car  Car    119.887
   1    3    4  Nar  Car   S2    108.477
   3    4    6  Car   S2  Car    107.689
   2    5    8  Car  Car  Car    120.131
   2    6    7  Car  Car  Car    119.887
   2    6    4  Car  Car   S2    108.072
   4    6    7   S2  Car  Car    132.041
   6    7   10  Car  Car  Car    120.131
   5    8    9  Car  Car  Npl    119.941
   5    8   10  Car  Car  Car    119.982
   9    8   10  Npl  Car  Car    120.077
   7   10    8  Car  Car  Car    119.982


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