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5-AMINO-1, 2, 3-THIADIAZOLE
5-AMINO-1, 2, 3-THIADIAZOLE ID: API-9348
CAS:4100-41-8
Supplier:APIchem

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SMILES:s1nncc1N	ChemMol.com
FORMULA: C2H3N3S
MASS: 101.1303
EXACT MASS: 101.0047681
INTERATOMIC DISTANCES

              S   1      N   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   N   2    1.7820     0.0000 
   N   3    1.6181     2.5876     0.0000 
   N   4    1.0000     2.5876     1.0000     0.0000 
   C   5    1.0000     1.0000     1.6180     1.6180     0.0000 
   C   6    1.6181     1.7821     1.0000     1.6180     1.0000     0.0000 
   H   7    2.2159     1.9762     1.4536     2.2159     1.4537     0.6199 
   H   8    1.9172     0.6200     3.0318     2.8491     1.4158     2.3267 
   H   9    2.3266     0.6199     2.8491     3.0316     1.4158     1.9172 

              H   7      H   8      H   9
              ---------------------------------
   H   7    0.0000 
   H   8    2.5803     0.0000 
   H   9    1.9115     1.0738     0.0000 



ATOMIC CHARGES
   S   1    0.0510198123
   N   2   -0.3502039645
   N   3   -0.1476889232
   N   4   -0.1087531100
   C   5    0.1031601095
   C   6    0.0794166505
   H   7    0.0872962453
   H   8    0.1428765901
   H   9    0.1428765901


BOND ANGLES
   4    1    5  Nar   S2  Car    107.997
   5    2    8  Car  Npl   HC    119.997
   5    2    9  Car  Npl   HC    120.003
   8    2    9   HC  Npl   HC    120.000
   4    3    6  Nar  Nar  Car    107.998
   1    4    3   S2  Nar  Nar    108.003
   1    5    2   S2  Car  Npl    126.000
   1    5    6   S2  Car  Car    108.003
   2    5    6  Npl  Car  Car    125.997
   3    6    5  Nar  Car  Car    107.998
   3    6    7  Nar  Car   HC    126.003
   5    6    7  Car  Car   HC    125.999


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