4-Allyl-5-(2-Methyl-3-Furyl)-4H-1,2,4-Triazole-3-Thiol
[CAS# 522597-61-1]

Identification

• Name: 4-Allyl-5-(2-Methyl-3-Furyl)-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-Allyl-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triazole-3-thiol; 5-(2-methyl(3-furyl))-4-prop-2-enyl-1,2,4-triazole-3-thiol; 5-(2-methylfuran-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₀H₁₁N₃OS
• Molecular Weight: 221.28
• CAS Registry Number: 522597-61-1
• SMILES: CC1=C(C=CO1)C2=NN=C(N2CC=C)S
• InChI: 1S/C10H11N3OS/c1-3-5-13-9(11-12-10(13)15)8-4-6-14-7(8)2/h3-4,6H,1,5H2,2H3,(H,12,15)
• InChIKey: DSXUGTKLONYCDV-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 378.6±52.0°C at 760 mmHg (Cal.)
• Flash point: 182.7±30.7°C (Cal.)
• Refractive index: 1.648 (Cal.)

Safety Data

• Safety Description: IRRITANT