4-(4-Isopropylphenyl)-5-[4-(2-Methyl-2-Propanyl)Phenyl]-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
[CAS# 261761-26-6]

Identification

• Name: 4-(4-Isopropylphenyl)-5-[4-(2-Methyl-2-Propanyl)Phenyl]-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
• Synonyms: 5-(4-tert-Butylphenyl)-4-(4-isopropylphenyl)-1,2,4-triazole-3-thiol; MFCD00207958; Maybridge1_008567
• Molecular Formula: C₂₁H₂₅N₃S
• Molecular Weight: 351.51
• CAS Registry Number: 261761-26-6
• SMILES: S=C2N(c1ccc(cc1)C(C)C)\C(=N/N2)c3ccc(cc3)C(C)(C)C
• InChI: 1S/C21H25N3S/c1-14(2)15-8-12-18(13-9-15)24-19(22-23-20(24)25)16-6-10-17(11-7-16)21(3,4)5/h6-14H,1-5H3,(H,23,25)
• InChIKey: BTYGCLSOJGJMDF-UHFFFAOYSA-N

Properties

• Density: 1.116g/cm³ (Cal.)
• Melting point: 224-227°C (Expl.)
• Boiling point: 447.663°C at 760 mmHg (Cal.)
• Flash point: 224.539°C (Cal.)
• Refractive index: 1.606 (Cal.)

Safety Data

• Safety Description: Irritant/Stench