4-Allyl-5-(1-phenoxyethyl)-4H-1,2,4-triazole-3-thiol
[CAS# 669705-40-2]

Identification

• Name: 4-Allyl-5-(1-phenoxyethyl)-4H-1,2,4-triazole-3-thiol
• Synonyms: 5-(1-phenoxyethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; 5-(phenoxyethyl)-4-prop-2-enyl-1,2,4-triazole-3-thiol; MFCD04057677
• Molecular Formula: C₁₃H₁₅N₃OS
• Molecular Weight: 261.34
• CAS Registry Number: 669705-40-2
• SMILES: CC(C1=NN=C(N1CC=C)S)OC2=CC=CC=C2
• InChI: 1S/C13H15N3OS/c1-3-9-16-12(14-15-13(16)18)10(2)17-11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,15,18)
• InChIKey: OHROLIMVKIAXAR-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 433.7±55.0°C at 760 mmHg (Cal.)
• Flash point: 216.1±31.5°C (Cal.)
• Refractive index: 1.61 (Cal.)

Safety Data

• Safety Description: IRRITANT