2-(5-(Ethylthio)-4-(2-Methylphenyl)-4H-1,2,4-Triazol-3-Yl)Phenol
[CAS# 81518-44-7]

Identification

• Name: 2-(5-(Ethylthio)-4-(2-Methylphenyl)-4H-1,2,4-Triazol-3-Yl)Phenol
• Synonyms: (6Z)-6-[5-(Ethylthio)-4-(2-Methylphenyl)-2H-1,2,4-Triazol-3-Ylidene]-1-Cyclohexa-2,4-Dienone; (6Z)-6-[5-(Ethylthio)-4-(2-Methylphenyl)-2H-1,2,4-Triazol-3-Ylidene]Cyclohexa-2,4-Dien-1-One; 2-(5-(Ethylthio)-4-(2-Methylphenyl)-4H-1,2,4-Triazol-3-Yl)Phenol
• Molecular Formula: C₁₇H₁₇N₃OS
• Molecular Weight: 311.40
• CAS Registry Number: 81518-44-7
• SMILES: C3=C(N1\C(NN=C1SCC)=C2\C(=O)C=CC=C2)C(=CC=C3)C
• InChI: 1S/C17H17N3OS/c1-3-22-17-19-18-16(13-9-5-7-11-15(13)21)20(17)14-10-6-4-8-12(14)2/h4-11,18H,3H2,1-2H3/b16-13+
• InChIKey: UMBRFMVILFEBRU-DTQAZKPQSA-N

Properties

• Density: 1.241g/cm³ (Cal.)
• Boiling point: 453.28°C at 760 mmHg (Cal.)
• Flash point: 227.936°C (Cal.)