4-(2-Furylmethyl)-5-[4-(2-Methyl-2-Propanyl)Phenyl]-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
[CAS 261946-00-3]

Identification

• Name: 4-(2-Furylmethyl)-5-[4-(2-Methyl-2-Propanyl)Phenyl]-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
• Synonyms: 5-(4-tert-butylphenyl)-4-(2-furylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione; 5-[4-(tert-butyl)phenyl]-4-(2-furylmethyl)-1,2,4-triazole-3-thiol; 5-[4-(TERT-BUTYL)PHENYL]-4-(2-FURYLMETHYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
• Molecular Formula: C₁₇H₁₉N₃OS
• Molecular Weight: 313.42
• CAS Registry Number: 261946-00-3
• SMILES: S=C1N\N=C(/N1Cc2occc2)c3ccc(cc3)C(C)(C)C
• InChI: 1S/C17H19N3OS/c1-17(2,3)13-8-6-12(7-9-13)15-18-19-16(22)20(15)11-14-5-4-10-21-14/h4-10H,11H2,1-3H3,(H,19,22)
• InChIKey: XOPAJNHNHTXVRT-UHFFFAOYSA-N

Properties

• Density: 1.211g/cm³ (Cal.)
• Boiling point: 409.384°C at 760 mmHg (Cal.)
• Flash point: 201.388°C (Cal.)
• Refractive index: 1.629 (Cal.)