{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio}acetic acid
[CAS# 150536-01-9]

Identification

• Name: {[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio}acetic acid
• Molecular Formula: C₁₂H₁₁ClN₃O₂S
• Molecular Weight: 296.75
• CAS Registry Number: 150536-01-9
• SMILES: C2=C(C1=NN=C(SCC([O-])=O)[N]1CC)C=CC(=C2)Cl
• InChI: 1S/C12H12ClN3O2S/c1-2-16-11(8-3-5-9(13)6-4-8)14-15-12(16)19-7-10(17)18/h3-6H,2,7H2,1H3,(H,17,18)/p-1
• InChIKey: HJIJQWOTTRBUEW-UHFFFAOYSA-M

Properties

• Boiling point: 524.856°C at 760 mmHg (Cal.)
• Flash point: 271.223°C (Cal.)