4-Allyl-5-[1-(2,3-dimethylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
[CAS# 667413-66-3]

Identification

• Name: 4-Allyl-5-[1-(2,3-dimethylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
• Synonyms: 5-[(2,3-dimethylphenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol; 5-[1-(2,3-dimethylphenoxy)ethyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; MFCD04054670
• Molecular Formula: C₁₅H₁₉N₃OS
• Molecular Weight: 289.40
• CAS Registry Number: 667413-66-3
• SMILES: CC1=C(C(=CC=C1)OC(C)C2=NN=C(N2CC=C)S)C
• InChI: 1S/C15H19N3OS/c1-5-9-18-14(16-17-15(18)20)12(4)19-13-8-6-7-10(2)11(13)3/h5-8,12H,1,9H2,2-4H3,(H,17,20)
• InChIKey: KEZWXIDMLFPBLC-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 463.3±55.0°C at 760 mmHg (Cal.)
• Flash point: 234.0±31.5°C (Cal.)
• Refractive index: 1.595 (Cal.)

Safety Data

• Safety Description: IRRITANT