4-Allyl-5-(5-Methyl-3-Thienyl)-4H-1,2,4-Triazole-3-Thiol
[CAS# 588680-35-7]

Identification

• Name: 4-Allyl-5-(5-Methyl-3-Thienyl)-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-Allyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol; 5-(5-methyl(3-thienyl))-4-prop-2-enyl-1,2,4-triazole-3-thiol; 5-(5-methylthiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₀H₁₁N₃S₂
• Molecular Weight: 237.34
• CAS Registry Number: 588680-35-7
• SMILES: CC1=CC(=CS1)C2=NN=C(N2CC=C)S
• InChI: 1S/C10H11N3S2/c1-3-4-13-9(11-12-10(13)14)8-5-7(2)15-6-8/h3,5-6H,1,4H2,2H3,(H,12,14)
• InChIKey: XYYGHOHDZSZNEZ-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 414.3±55.0°C at 760 mmHg (Cal.)
• Flash point: 204.4±31.5°C (Cal.)
• Refractive index: 1.693 (Cal.)

Safety Data

• Safety Description: IRRITANT