AC1NQ3KO
2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(2-chlorophenyl)-4-phenyl-1,2,4-triazole-3-thione
Also Known As: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(2-chlorophenyl)-4-phenyl-1,2,4-triazole-3-thione|4-Benzyl-1-{[3-(2-chlorophenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidin-1-ium
CAS: 6830-91-7
| Molecular Formula | C27H28ClN4S+ |
|---|---|
| Molecular Weight | 475.17233 g/mol |
| LogP | 5.21879 |
| Topological Polar Surface Area | 27.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.17233 |
| Monoisotopic Mass | 475.17233 |
| Heavy Atoms | 33 |
| Complexity | 1258.2883 |
Chemical Identifiers
| CAS Number | 6830-91-7 |
|---|---|
| SMILES | C1C[NH+](CCC1CC2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CC=C4Cl)C5=CC=CC=C5 |
Product Overview
AC1NQ3KO (CAS 6830-91-7), with molecular formula C27H28ClN4S+ and molecular weight 475.17233 g/mol. IUPAC: 2-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(2-chlorophenyl)-4-phenyl-1,2,4-triazole-3-thione.
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.
View MSDS →
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