4-(3-Methoxypropyl)-5-[4-(Trifluoromethyl)Phenyl]-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
[CAS# 261965-18-8]

Identification

• Name: 4-(3-Methoxypropyl)-5-[4-(Trifluoromethyl)Phenyl]-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
• Synonyms: 4-(3-Methoxypropyl)-5-[4-(trifluoromethyl)-phenyl]-4H-1,2,4-triazole-3-thiol; MFCD00105841; ZINC02150485
• Molecular Formula: C₁₃H₁₄F₃N₃OS
• Molecular Weight: 317.33
• CAS Registry Number: 261965-18-8
• SMILES: S=C1N(\C(=N/N1)c2ccc(cc2)C(F)(F)F)CCCOC
• InChI: 1S/C13H14F3N3OS/c1-20-8-2-7-19-11(17-18-12(19)21)9-3-5-10(6-4-9)13(14,15)16/h3-6H,2,7-8H2,1H3,(H,18,21)
• InChIKey: AZJCUZUKSXZWBE-UHFFFAOYSA-N

Properties

• Density: 1.359g/cm³ (Cal.)
• Boiling point: 350.086°C at 760 mmHg (Cal.)
• Flash point: 165.527°C (Cal.)
• Refractive index: 1.565 (Cal.)

Safety Data

• Safety Description: IRRITANT