5-(3-(4-bromophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)-2-chlorobenzoic acid
5-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid
Also Known As: A4134/0176302|5-(3-(4-bromophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)-2-chlorobenzoic acid|5-[3-(4-bromophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid|5-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid|5-[3-(4-bromophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid
CAS: 893775-06-9
| Molecular Formula | C15H9BrClN3O2S |
|---|---|
| Molecular Weight | 408.92874 g/mol |
| LogP | 4.71099 |
| Topological Polar Surface Area | 70.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.92874 |
| Monoisotopic Mass | 408.92874 |
| Heavy Atoms | 23 |
| Complexity | 950.101 |
Chemical Identifiers
| CAS Number | 893775-06-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)O)Br |
Product Overview
5-(3-(4-bromophenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)-2-chlorobenzoic acid (CAS 893775-06-9), with molecular formula C15H9BrClN3O2S and molecular weight 408.92874 g/mol. IUPAC: 5-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid.
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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