4-Allyl-5-(4-Ethoxyphenyl)-4H-1,2,4-Triazole-3-Thiol
[CAS# 334497-08-4]

Identification

• Name: 4-Allyl-5-(4-Ethoxyphenyl)-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-allyl-5-(4-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione; 5-(4-ethoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; 5-(4-ethoxyphenyl)-4-prop-2-enyl-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₃H₁₅N₃OS
• Molecular Weight: 261.34
• CAS Registry Number: 334497-08-4
• SMILES: CCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)S
• InChI: 1S/C13H15N3OS/c1-3-9-16-12(14-15-13(16)18)10-5-7-11(8-6-10)17-4-2/h3,5-8H,1,4,9H2,2H3,(H,15,18)
• InChIKey: NOHJFBRWEMJMOT-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 429.0±55.0°C at 760 mmHg (Cal.)
• Flash point: 213.3±31.5°C (Cal.)
• Refractive index: 1.61 (Cal.)

Safety Data

• Safety Description: IRRITANT