(3-Phenyl-5-Thioxo-1,5-Dihydro-4H-1,2,4-Triazol-4-Yl)Acetic Acid
[CAS# 185034-18-8]

Identification

• Name: (3-Phenyl-5-Thioxo-1,5-Dihydro-4H-1,2,4-Triazol-4-Yl)Acetic Acid
• Synonyms: 2-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetic acid
• Molecular Formula: C₁₀H₉N₃O₂S
• Molecular Weight: 235.26
• CAS Registry Number: 185034-18-8
• SMILES: O=C(O)CN1/C(=N\NC1=S)c2ccccc2
• InChI: 1S/C10H9N3O2S/c14-8(15)6-13-9(11-12-10(13)16)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,16)(H,14,15)
• InChIKey: LLSYGKQHAYFNCR-UHFFFAOYSA-N

Properties

• Density: 1.47g/cm³ (Cal.)
• Boiling point: 398.691°C at 760 mmHg (Cal.)
• Flash point: 194.922°C (Cal.)
• Refractive index: 1.711 (Cal.)