4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate
4,5-diphenyl-1,2,4-triazole-3-thiolate
Also Known As: 4,5-diphenyl-4H-1,2,4-triazole-3-thiol|4,5-diphenyl-1,2,4-triazole-3-thiolate|4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate|AG-690/33046046
CAS: 6596-82-3
| Molecular Formula | C14H10N3S- |
|---|---|
| Molecular Weight | 252.05954 g/mol |
| LogP | 2.8401 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.05954 |
| Monoisotopic Mass | 252.05954 |
| Heavy Atoms | 18 |
| Complexity | 647.3157 |
Chemical Identifiers
| CAS Number | 6596-82-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)[S-] |
Product Overview
4,5-Diphenyl-4H-1,2,4-triazole-3-thiolate (CAS 6596-82-3), with molecular formula C14H10N3S- and molecular weight 252.05954 g/mol. IUPAC: 4,5-diphenyl-1,2,4-triazole-3-thiolate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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