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Sodium 1,2,3-triazole-5-thiolate
Sodium 1,2,3-triazole-5-thiolate ID: API-34505
CAS:59032-27-8
Supplier:APIchem

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SMILES:[S-]c1n[nH]nc1	ChemMol.com
FORMULA: C2H2N3S-
MASS: 100.1224
EXACT MASS: 99.9969431
TOTAL CHARGE: -1
INTERATOMIC DISTANCES

              S   1      N   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   S   1    0.0000 
   N   2    2.5876     0.0000 
   N   3    1.7819     1.0000     0.0000 
   N   4    2.5876     1.0000     1.6180     0.0000 
   C   5    1.0000     1.6180     0.9999     1.6180     0.0000 
   C   6    1.7820     1.6180     1.6180     0.9999     1.0000     0.0000 
   H   7    1.9763     2.2159     2.2159     1.4537     1.4537     0.6200 
   H   8    3.1609     0.6200     1.4537     1.4537     2.2159     2.2159 

              H   7      H   8
              ----------------------
   H   7    0.0000 
   H   8    2.7973     0.0000 



ATOMIC CHARGES
   S   1   -0.7361748382
   N   2   -0.1983745021
   N   3   -0.1868669366
   N   4   -0.1650945985
   C   5   -0.0575912066
   C   6    0.0470645159
   H   7    0.0845939254
   H   8    0.2124436406


BOND ANGLES
   3    2    4  Nar  Nar  Nar    107.997
   3    2    8  Nar  Nar   HC    126.001
   4    2    8  Nar  Nar   HC    126.001
   2    3    5  Nar  Nar  Car    108.001
   2    4    6  Nar  Nar  Car    108.001
   1    5    3   S3  Car  Nar    125.999
   1    5    6   S3  Car  Car    126.001
   3    5    6  Nar  Car  Car    108.000
   4    6    5  Nar  Car  Car    108.000
   4    6    7  Nar  Car   HC    126.002
   5    6    7  Car  Car   HC    125.997


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