5-[(4-Isopropylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
[CAS# 667414-35-9]

Identification

• Name: 5-[(4-Isopropylphenoxy)methyl]-4-methyl-4H-1,2,4-triazole-3-thiol
• Synonyms: 4-methyl-5-{[4-(methylethyl)phenoxy]methyl}-1,2,4-triazole-3-thiol; 4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol; 5-(4-Isopropyl-phenoxymethyl)-4-methyl-4H-[1,2,4]triazole-3-thiol
• Molecular Formula: C₁₃H₁₇N₃OS
• Molecular Weight: 263.36
• CAS Registry Number: 667414-35-9
• SMILES: CC(C)C1=CC=C(C=C1)OCC2=NN=C(N2C)S
• InChI: 1S/C13H17N3OS/c1-9(2)10-4-6-11(7-5-10)17-8-12-14-15-13(18)16(12)3/h4-7,9H,8H2,1-3H3,(H,15,18)
• InChIKey: FFVYNISIQOIZET-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 437.8±55.0°C at 760 mmHg (Cal.)
• Flash point: 218.6±31.5°C (Cal.)
• Refractive index: 1.611 (Cal.)

Safety Data

• Safety Description: IRRITANT