2-(5-(Ethylthio)-4-Phenyl-4H-1,2,4-Triazol-3-Yl)Phenol
[CAS# 81518-34-5]

Identification

• Name: 2-(5-(Ethylthio)-4-Phenyl-4H-1,2,4-Triazol-3-Yl)Phenol
• Synonyms: (6Z)-6-[5-(Ethylthio)-4-Phenyl-2H-1,2,4-Triazol-3-Ylidene]-1-Cyclohexa-2,4-Dienone; (6Z)-6-[5-(Ethylthio)-4-Phenyl-2H-1,2,4-Triazol-3-Ylidene]Cyclohexa-2,4-Dien-1-One; Brn 5094483
• Molecular Formula: C₁₆H₁₅N₃OS
• Molecular Weight: 297.37
• CAS Registry Number: 81518-34-5
• SMILES: C3=C(N1\C(NN=C1SCC)=C2\C(=O)C=CC=C2)C=CC=C3
• InChI: 1S/C16H15N3OS/c1-2-21-16-18-17-15(13-10-6-7-11-14(13)20)19(16)12-8-4-3-5-9-12/h3-11,17H,2H2,1H3/b15-13+
• InChIKey: VXAGHXSKFDCPET-FYWRMAATSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 442.591°C at 760 mmHg (Cal.)
• Flash point: 221.471°C (Cal.)