(4,5-Diphenyl-4 H-[1,2,4]Triazol-3-Ylsulfanyl)-Acetic Acid
[CAS# 54559-45-4]

Identification

• Name: (4,5-Diphenyl-4 H-[1,2,4]Triazol-3-Ylsulfanyl)-Acetic Acid
• Synonyms: 2-[[4,5-Di(Phenyl)-1,2,4-Triazol-3-Yl]Thio]Acetate; 2-[[4,5-Di(Phenyl)-1,2,4-Triazol-3-Yl]Sulfanyl]Ethanoate; Zinc00078329
• Molecular Formula: C₁₆H₁₂N₃O₂S
• Molecular Weight: 310.35
• CAS Registry Number: 54559-45-4
• SMILES: C3=C([N]1C(=NN=C1SCC([O-])=O)C2=CC=CC=C2)C=CC=C3
• InChI: 1S/C16H13N3O2S/c20-14(21)11-22-16-18-17-15(12-7-3-1-4-8-12)19(16)13-9-5-2-6-10-13/h1-10H,11H2,(H,20,21)/p-1
• InChIKey: AVUOMUDSGDOION-UHFFFAOYSA-M

Properties

• Boiling point: 569.834°C at 760 mmHg (Cal.)
• Flash point: 298.425°C (Cal.)