4-Isopropyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
[CAS# 90871-43-5]

Identification

• Name: 4-Isopropyl-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
• Synonyms: 4-(methylethyl)-3-(4-pyridyl)-1,2,4-triazoline-5-thione; 4-(propan-2-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol; 4-isopropyl-5-(4-pyridinyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Molecular Formula: C₁₀H₁₂N₄S
• Molecular Weight: 220.29
• CAS Registry Number: 90871-43-5
• SMILES: CC(C)N1C(=NN=C1S)C2=CC=NC=C2
• InChI: 1S/C10H12N4S/c1-7(2)14-9(12-13-10(14)15)8-3-5-11-6-4-8/h3-7H,1-2H3,(H,13,15)
• InChIKey: JCEBCTLZJBGPKG-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 412.4±47.0°C at 760 mmHg (Cal.)
• Flash point: 203.2±29.3°C (Cal.)