4-Allyl-5-(2-thienylmethyl)-4H-1,2,4-triazole-3-thiol
[CAS# 667435-98-5]

Identification

• Name: 4-Allyl-5-(2-thienylmethyl)-4H-1,2,4-triazole-3-thiol
• Synonyms: 4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol; 4-Allyl-5-(thien-2-ylmethyl)-4H-1,2,4-triazole-3-thiol; 4-Allyl-5-thiophen-2-ylmethyl-4H-[1,2,4]triazole-3-thiol
• Molecular Formula: C₁₀H₁₁N₃S₂
• Molecular Weight: 237.34
• CAS Registry Number: 667435-98-5
• SMILES: C=CCN1C(=NN=C1S)CC2=CC=CS2
• InChI: 1S/C10H11N3S2/c1-2-5-13-9(11-12-10(13)14)7-8-4-3-6-15-8/h2-4,6H,1,5,7H2,(H,12,14)
• InChIKey: WGQWVGVMMLGFGU-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 417.5±55.0°C at 760 mmHg (Cal.)
• Flash point: 206.3±31.5°C (Cal.)
• Refractive index: 1.691 (Cal.)

Safety Data

• Safety Description: IRRITANT