4-Allyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
[CAS# 90842-92-5]

Identification

• Name: 4-Allyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
• Synonyms: 4-(prop-2-en-1-yl)-3-(pyridin-4-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione; 4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione; 4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₀H₁₀N₄S
• Molecular Weight: 218.28
• CAS Registry Number: 90842-92-5
• SMILES: C=CCN1C(=NN=C1S)C2=CC=NC=C2
• InChI: 1S/C10H10N4S/c1-2-7-14-9(12-13-10(14)15)8-3-5-11-6-4-8/h2-6H,1,7H2,(H,13,15)
• InChIKey: YDSITGDYTVXFBE-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 421.6±55.0°C at 760 mmHg (Cal.)
• Flash point: 208.8±31.5°C (Cal.)

Safety Data

• Safety Description: IRRITANT