4-Allyl-5-[1-(2-methylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
[CAS# 667414-42-8]

Identification

• Name: 4-Allyl-5-[1-(2-methylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
• Synonyms: 5-[(2-methylphenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol; 5-[1-(2-methylphenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; MFCD04054722
• Molecular Formula: C₁₄H₁₇N₃OS
• Molecular Weight: 275.37
• CAS Registry Number: 667414-42-8
• SMILES: CC1=CC=CC=C1OC(C)C2=NN=C(N2CC=C)S
• InChI: 1S/C14H17N3OS/c1-4-9-17-13(15-16-14(17)19)11(3)18-12-8-6-5-7-10(12)2/h4-8,11H,1,9H2,2-3H3,(H,16,19)
• InChIKey: RASINPALMTXUMF-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 442.5±55.0°C at 760 mmHg (Cal.)
• Flash point: 221.4±31.5°C (Cal.)
• Refractive index: 1.602 (Cal.)

Safety Data

• Safety Description: IRRITANT