2-(4-Phenyl-5-(Propylthio)-4H-1,2,4-Triazol-3-Yl)Phenol
[CAS# 81518-36-7]

Identification

• Name: 2-(4-Phenyl-5-(Propylthio)-4H-1,2,4-Triazol-3-Yl)Phenol
• Synonyms: (6Z)-6-[4-Phenyl-5-(Propylthio)-2H-1,2,4-Triazol-3-Ylidene]-1-Cyclohexa-2,4-Dienone; (6Z)-6-[4-Phenyl-5-(Propylthio)-2H-1,2,4-Triazol-3-Ylidene]Cyclohexa-2,4-Dien-1-One; 2-(4-Phenyl-5-(Propylthio)-4H-1,2,4-Triazol-3-Yl)Phenol
• Molecular Formula: C₁₇H₁₇N₃OS
• Molecular Weight: 311.40
• CAS Registry Number: 81518-36-7
• SMILES: C3=C(N1\C(NN=C1SCCC)=C2\C(=O)C=CC=C2)C=CC=C3
• InChI: 1S/C17H17N3OS/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/h3-11,18H,2,12H2,1H3/b16-14+
• InChIKey: WRRGFCYVCIVENH-JQIJEIRASA-N

Properties

• Density: 1.236g/cm³ (Cal.)
• Boiling point: 453.805°C at 760 mmHg (Cal.)
• Flash point: 228.253°C (Cal.)