2-chloro-5-(3-(4-chlorobenzyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzoic acid
2-chloro-5-[3-[(4-chlorophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
Also Known As: A4134/0176300|2-chloro-5-(3-(4-chlorobenzyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzoic acid|2-chloro-5-[3-(4-chlorobenzyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid|2-chloro-5-[3-(4-chlorobenzyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid|2-chloro-5-[3-[(4-chlorophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
| Molecular Formula | C16H11Cl2N3O2S |
|---|---|
| Molecular Weight | 378.9949 g/mol |
| LogP | 4.52569 |
| Topological Polar Surface Area | 70.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.9949 |
| Monoisotopic Mass | 378.9949 |
| Heavy Atoms | 24 |
| Complexity | 964.19904 |
Chemical Identifiers
| CAS Number | 893775-02-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)O)Cl |
Product Overview
2-chloro-5-(3-(4-chlorobenzyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzoic acid (CAS 893775-02-5), with molecular formula C16H11Cl2N3O2S and molecular weight 378.9949 g/mol. IUPAC: 2-chloro-5-[3-[(4-chlorophenyl)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid.
2-chloro-5-(3-(4-chlorobenzyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »