2-(4-(2-Methylphenyl)-5-(Propylthio)-4H-1,2,4-Triazol-3-Yl)Phenol
[CAS# 81518-46-9]

Identification

• Name: 2-(4-(2-Methylphenyl)-5-(Propylthio)-4H-1,2,4-Triazol-3-Yl)Phenol
• Synonyms: (6Z)-6-[4-(2-Methylphenyl)-5-(Propylthio)-2H-1,2,4-Triazol-3-Ylidene]-1-Cyclohexa-2,4-Dienone; (6Z)-6-[4-(2-Methylphenyl)-5-(Propylthio)-2H-1,2,4-Triazol-3-Ylidene]Cyclohexa-2,4-Dien-1-One; 2-(4-(2-Methylphenyl)-5-(Propylthio)-4H-1,2,4-Triazol-3-Yl)Phenol
• Molecular Formula: C₁₈H₁₉N₃OS
• Molecular Weight: 325.43
• CAS Registry Number: 81518-46-9
• SMILES: C3=C(N1\C(NN=C1SCCC)=C2\C(=O)C=CC=C2)C(=CC=C3)C
• InChI: 1S/C18H19N3OS/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/h4-11,19H,3,12H2,1-2H3/b17-14+
• InChIKey: OBRYBZSIZAYZPF-SAPNQHFASA-N

Properties

• Density: 1.218g/cm³ (Cal.)
• Boiling point: 464.624°C at 760 mmHg (Cal.)
• Flash point: 234.797°C (Cal.)