{[4-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
[CAS# 66297-64-1]

Identification

• Name: {[4-(4-Methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
• Synonyms: (4-p-Tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid; {[4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETICACID
• Molecular Formula: C₁₁H₁₁N₃O₂S
• Molecular Weight: 249.29
• CAS Registry Number: 66297-64-1
• SMILES: OC(=O)CSc2nncn2c1ccc(C)cc1
• InChI: 1S/C11H11N3O2S/c1-8-2-4-9(5-3-8)14-7-12-13-11(14)17-6-10(15)16/h2-5,7H,6H2,1H3,(H,15,16)
• InChIKey: OPABJFZZJANABC-UHFFFAOYSA-N

Properties

• Density: 1.376g/cm³ (Cal.)
• Boiling point: 486.879°C at 760 mmHg (Cal.)
• Flash point: 248.256°C (Cal.)