4-Allyl-5-(2-Thienyl)-4H-1,2,4-Triazole-3-Thiol
[CAS# 187795-50-2]

Identification

• Name: 4-Allyl-5-(2-Thienyl)-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione; 4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol; 4-Allyl-5-(2-thiophene)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Molecular Formula: C₉H₉N₃S₂
• Molecular Weight: 223.32
• CAS Registry Number: 187795-50-2
• SMILES: C=CCN1C(=NN=C1S)C2=CC=CS2
• InChI: 1S/C9H9N3S2/c1-2-5-12-8(10-11-9(12)13)7-4-3-6-14-7/h2-4,6H,1,5H2,(H,11,13)
• InChIKey: PKFGYLPKWBDFLD-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 397.6±44.0°C at 760 mmHg (Cal.)
• Flash point: 194.3±28.4°C (Cal.)
• Refractive index: 1.714 (Cal.)

Safety Data

• Safety Description: IRRITANT