5-(2-Chloro-6-Methyl-4-Pyrimidinyl)-4-(4-Chlorophenyl)-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
[CAS# 266337-73-9]

Identification

• Name: 5-(2-Chloro-6-Methyl-4-Pyrimidinyl)-4-(4-Chlorophenyl)-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
• Synonyms: 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol; ZINC02568784
• Molecular Formula: C₁₃H₉Cl₂N₅S
• Molecular Weight: 338.22
• CAS Registry Number: 266337-73-9
• SMILES: S=C2N(c1ccc(Cl)cc1)\C(=N/N2)c3nc(Cl)nc(c3)C
• InChI: 1S/C13H9Cl2N5S/c1-7-6-10(17-12(15)16-7)11-18-19-13(21)20(11)9-4-2-8(14)3-5-9/h2-6H,1H3,(H,19,21)
• InChIKey: PFFSMZNBTTUIHZ-UHFFFAOYSA-N

Properties

• Density: 1.592g/cm³ (Cal.)
• Boiling point: 501.818°C at 760 mmHg (Cal.)
• Flash point: 257.29°C (Cal.)
• Refractive index: 1.759 (Cal.)