2-chloro-5-[3-(2-hydroxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
2-chloro-5-[3-(2-hydroxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid
Also Known As: A4134/0176303|2-chloro-5-(3-(2-hydroxyphenyl)-5-mercapto-4H-1,2,4-triazol-4-yl)benzoic acid|2-chloro-5-[3-(2-hydroxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid|2-chloro-5-[3-(2-hydroxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid|2-chloro-5-[(3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-sulfanylidene-1,2,4-triazolidin-4-yl]benzoic acid
| Molecular Formula | C15H10ClN3O3S |
|---|---|
| Molecular Weight | 347.01315 g/mol |
| LogP | 3.65409 |
| Topological Polar Surface Area | 91.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.01315 |
| Monoisotopic Mass | 347.01315 |
| Heavy Atoms | 23 |
| Complexity | 964.5961 |
Chemical Identifiers
| CAS Number | 893775-10-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)O)O |
Product Overview
2-chloro-5-[3-(2-hydroxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid (CAS 893775-10-5), with molecular formula C15H10ClN3O3S and molecular weight 347.01315 g/mol. IUPAC: 2-chloro-5-[3-(2-hydroxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]benzoic acid.
2-chloro-5-[3-(2-hydroxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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