2-(4-Phenyl-5-(2-Propenylthio)-4H-1,2,4-Triazol-3-Yl)Phenol
[CAS# 81518-35-6]

Identification

• Name: 2-(4-Phenyl-5-(2-Propenylthio)-4H-1,2,4-Triazol-3-Yl)Phenol
• Synonyms: (6Z)-6-(5-Allylsulfanyl-4-Phenyl-2H-1,2,4-Triazol-3-Ylidene)Cyclohexa-2,4-Dien-1-One; (6Z)-6-[5-(Allylthio)-4-Phenyl-2H-1,2,4-Triazol-3-Ylidene]-1-Cyclohexa-2,4-Dienone; (6Z)-6-[5-(Allylthio)-4-Phenyl-2H-1,2,4-Triazol-3-Ylidene]Cyclohexa-2,4-Dien-1-One
• Molecular Formula: C₁₇H₁₅N₃OS
• Molecular Weight: 309.39
• CAS Registry Number: 81518-35-6
• SMILES: C3=C(N1\C(NN=C1SCC=C)=C2\C(=O)C=CC=C2)C=CC=C3
• InChI: 1S/C17H15N3OS/c1-2-12-22-17-19-18-16(14-10-6-7-11-15(14)21)20(17)13-8-4-3-5-9-13/h2-11,18H,1,12H2/b16-14+
• InChIKey: NKJGIIMARGFNAC-JQIJEIRASA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 443.355°C at 760 mmHg (Cal.)
• Flash point: 221.933°C (Cal.)