![4-[3-(ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-yl]benzoic acid structure](/static/products/488/488708-33-4.png)
4-[3-(ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-yl]benzoic acid
4-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)benzoic acid
Also Known As: 4-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)benzoic acid|4-(3-(ethylthio)-5-methyl-4H-1,2,4-triazol-4-yl)benzoic acid|4-[3-(ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-yl]benzoic acid
CAS: 488708-33-4
| Molecular Formula | C12H13N3O2S |
|---|---|
| Molecular Weight | 263.07285 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.07285 |
| Monoisotopic Mass | 263.07285 |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 488708-33-4 |
|---|---|
| SMILES | CCSC1=NN=C(N1C2=CC=C(C=C2)C(=O)O)C |
| InChIKey | NGPWIESDBJWWPT-UHFFFAOYSA-N |
Product Overview
4-[3-(ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-yl]benzoic acid (CAS 488708-33-4), with molecular formula C12H13N3O2S and molecular weight 263.07285 g/mol. IUPAC: 4-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)benzoic 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.
View MSDS →
4-[3-(ethylsulfanyl)-5-methyl-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 »