2-(4-(2-Methylphenyl)-5-(2-Propenylthio)-4H-1,2,4-Triazol-3-Yl)Phenol
[CAS# 81518-45-8]

Identification

• Name: 2-(4-(2-Methylphenyl)-5-(2-Propenylthio)-4H-1,2,4-Triazol-3-Yl)Phenol
• Synonyms: (6Z)-6-[5-Allylsulfanyl-4-(2-Methylphenyl)-2H-1,2,4-Triazol-3-Ylidene]Cyclohexa-2,4-Dien-1-One; (6Z)-6-[5-(Allylthio)-4-(2-Methylphenyl)-2H-1,2,4-Triazol-3-Ylidene]-1-Cyclohexa-2,4-Dienone; (6Z)-6-[5-(Allylthio)-4-(2-Methylphenyl)-2H-1,2,4-Triazol-3-Ylidene]Cyclohexa-2,4-Dien-1-One
• Molecular Formula: C₁₈H₁₇N₃OS
• Molecular Weight: 323.41
• CAS Registry Number: 81518-45-8
• SMILES: C3=C(N1\C(NN=C1SCC=C)=C2\C(=O)C=CC=C2)C(=CC=C3)C
• InChI: 1S/C18H17N3OS/c1-3-12-23-18-20-19-17(14-9-5-7-11-16(14)22)21(18)15-10-6-4-8-13(15)2/h3-11,19H,1,12H2,2H3/b17-14+
• InChIKey: BOORHCBQXPSKSN-SAPNQHFASA-N

Properties

• Density: 1.211g/cm³ (Cal.)
• Boiling point: 454.466°C at 760 mmHg (Cal.)
• Flash point: 228.653°C (Cal.)