![(5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid structure](/static/products/6205/62054-72-2.webp)
(5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: ChemDiv1_008629|(5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid|[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid|HMS611I05|2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid|BAS 01368077|NCI60_010362|[(5-Phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid|2-(5-phenyl-4H-1,2,4-triazol-3-ylthio)acetic acid|2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid|N-[2-Nitro-4-(trifluoromethyl)phenyl]morpholine|2-((5-Phenyl-1H-1,2,4-triazol-3-yl)thio)acetic acid|2-((5-Phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid|acetic acid, [(5-phenyl-4H-1,2,4-triazol-3-yl)thio]-|SR-01000472372-1|((5-Phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid|(5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)acetic acid|(5-Phenyl-4H-1,2,4triazol-3-ylsulfanyl)-acetic Acid|2-((5-Phenyl-4H-1,2,4-triazol-3-yl)thio)aceticacid|(5-phenyl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
| Molecular Formula | C10H9N3O2S |
|---|---|
| Molecular Weight | 235.04155 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.04155 |
| Monoisotopic Mass | 235.04155 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 62054-72-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)O |
| InChIKey | NBGARSVWAUUWLK-UHFFFAOYSA-N |
Product Overview
(5-Phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid (CAS 62054-72-2), with molecular formula C10H9N3O2S and molecular weight 235.04155 g/mol. IUPAC: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid.