3-(4-Phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propanol
[CAS# 83503-21-3]

Identification

• Name: 3-(4-Phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propanol
• Synonyms: 3-(4-phenyl-5-sulfanyl-1,2,4-triazol-3-yl)propan-1-ol; 3-(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-1-propanol; 3-(5-Mercapto-4-phenyl-4H-[1,2,4]triazol-3-yl)-propan-1-ol
• Molecular Formula: C₁₁H₁₃N₃OS
• Molecular Weight: 235.31
• CAS Registry Number: 83503-21-3
• SMILES: C1=CC=C(C=C1)N2C(=NN=C2S)CCCO
• InChI: 1S/C11H13N3OS/c15-8-4-7-10-12-13-11(16)14(10)9-5-2-1-3-6-9/h1-3,5-6,15H,4,7-8H2,(H,13,16)
• InChIKey: NXQYJFFFOCXEOM-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 462.3±47.0°C at 760 mmHg (Cal.)
• Flash point: 233.4±29.3°C (Cal.)