4-Allyl-5-[(4-isopropylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
[CAS# 667414-43-9]

Identification

• Name: 4-Allyl-5-[(4-isopropylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
• Synonyms: 4-Allyl-5-(4-isopropyl-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol; 5-{[4-(methylethyl)phenoxy]methyl}-4-prop-2-enyl-1,2,4-triazole-3-thiol; 5-{[4-(propan-2-yl)phenoxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₅H₁₉N₃OS
• Molecular Weight: 289.40
• CAS Registry Number: 667414-43-9
• SMILES: CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2CC=C)S
• InChI: 1S/C15H19N3OS/c1-4-9-18-14(16-17-15(18)20)10-19-13-7-5-12(6-8-13)11(2)3/h4-8,11H,1,9-10H2,2-3H3,(H,17,20)
• InChIKey: FPVRINFDGDVFAQ-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 457.9±55.0°C at 760 mmHg (Cal.)
• Flash point: 230.7±31.5°C (Cal.)
• Refractive index: 1.594 (Cal.)

Safety Data

• Safety Description: IRRITANT