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5-mercapto-1,2,3-thiadiazole sodium salt |
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ID: B187184 CAS:865854-97-3 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:c1(snnc1)S[Na] FORMULA: C2HN2NaS2
MASS: 140.1625
EXACT MASS: 139.9478843
INTERATOMIC DISTANCES
C 1 N 2 S 3 N 4 C 5 S 6
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C 1 0.0000
N 2 1.2000 0.0000
S 3 0.7426 0.7426 0.0000
N 4 1.1960 0.7418 1.1991 0.0000
C 5 0.7393 1.2027 1.2017 0.7417 0.0000
S 6 0.7457 1.9225 1.3241 1.9195 1.3229 0.0000
Na 7 1.2948 2.2818 1.5603 2.4780 1.9912 0.7430
Na 7
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Na 7 0.0000
ATOMIC CHARGES
C 1 0.0000000000
N 2 0.0000000000
S 3 0.0000000000
N 4 0.0000000000
C 5 0.0000000000
S 6 0.0000000000
Na 7 0.0000000000
BOND ANGLES
2 4 5 Nar Nar Car 108.330
4 5 1 Nar Car Car 107.719
5 4 2 Car Nar Nar 108.330
4 2 3 Nar Nar S2 107.768
TORSION ANGLES
4 2 3 1 0.026
2 3 1 5 0.026
2 3 1 6 179.974
2 4 5 1 0.026
4 5 1 3 0.026
4 5 1 6 179.974
7 6 1 3 0.026
7 6 1 5 179.974
5 4 2 3 0.026
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