4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
[CAS# 91813-63-7]

Identification

• Name: 4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
• Synonyms: 2,4-Dihydro-4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-3H-1,2,4-triazole-3-thione, 4-(Prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol, 4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol; 2,4-Dihydro-4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-3H-1,2,4-triazole-3-thione; 4-(Prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol; 4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazole-3-thiol; 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(2-propenyl)-5-(2-pyridinyl)-
• Molecular Formula: C₁₀H₁₀N₄S
• Molecular Weight: 218.28
• CAS Registry Number: 91813-63-7
• SMILES: C=CCN1C(=NN=C1S)C2=CC=CC=N2
• InChI: 1S/C10H10N4S/c1-2-7-14-9(12-13-10(14)15)8-5-3-4-6-11-8/h2-6H,1,7H2,(H,13,15)
• InChIKey: GQUMJEVEIZJHNE-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 413.1±47.0°C at 760 mmHg (Cal.)
• Flash point: 203.6±29.3°C (Cal.)

Safety Data

• Safety Description: IRRITANT