[(4-Phenyl-4H-1,2,4-Triazol-3-Yl)Sulfanyl]Acetic Acid
[CAS# 3682-28-8]

Identification

• Name: [(4-Phenyl-4H-1,2,4-Triazol-3-Yl)Sulfanyl]Acetic Acid
• Synonyms: acid; (4-Phenyl-4 H -[1,2,4]triazol-3-ylsulfanyl)-acetic; (4-Phenyl-4 H -[1,2,4]triazol-3-ylsulfanyl)-acetic acid
• Molecular Formula: C₁₀H₉N₃O₂S
• Molecular Weight: 235.26
• CAS Registry Number: 3682-28-8
• SMILES: O=C(O)CSc2nncn2c1ccccc1
• InChI: 1S/C10H9N3O2S/c14-9(15)6-16-10-12-11-7-13(10)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,14,15)
• InChIKey: HBNMWSBTNLONCN-UHFFFAOYSA-N

Properties

• Density: 1.418g/cm³ (Cal.)
• Boiling point: 485.909°C at 760 mmHg (Cal.)
• Flash point: 247.669°C (Cal.)