4-Allyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
[CAS# 667413-68-5]

Identification

• Name: 4-Allyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
• Synonyms: 5-[(3-methylphenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol; 5-[1-(3-methylphenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; MFCD04054633
• Molecular Formula: C₁₄H₁₇N₃OS
• Molecular Weight: 275.37
• CAS Registry Number: 667413-68-5
• SMILES: CC1=CC(=CC=C1)OC(C)C2=NN=C(N2CC=C)S
• InChI: 1S/C14H17N3OS/c1-4-8-17-13(15-16-14(17)19)11(3)18-12-7-5-6-10(2)9-12/h4-7,9,11H,1,8H2,2-3H3,(H,16,19)
• InChIKey: CVQZLILJLNHSQL-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 451.3±55.0°C at 760 mmHg (Cal.)
• Flash point: 226.7±31.5°C (Cal.)
• Refractive index: 1.602 (Cal.)

Safety Data

• Safety Description: IRRITANT