[5-(4-Amino-Phenyl)-4-Methyl-4 H-[1,2,4]Triazol-3-Ylsulfanyl]-Acetic Acid
[CAS# 421567-49-9]

Identification

• Name: [5-(4-Amino-Phenyl)-4-Methyl-4 H-[1,2,4]Triazol-3-Ylsulfanyl]-Acetic Acid
• Synonyms: 2-[[5-(4-Aminophenyl)-4-Methyl-1,2,4-Triazol-3-Yl]Thio]Acetate; 2-[[5-(4-Aminophenyl)-4-Methyl-1,2,4-Triazol-3-Yl]Sulfanyl]Ethanoate; Zinc00112354
• Molecular Formula: C₁₁H₁₁N₄O₂S
• Molecular Weight: 263.29
• CAS Registry Number: 421567-49-9
• SMILES: C2=C(C1=NN=C(SCC([O-])=O)[N]1C)C=CC(=C2)N
• InChI: 1S/C11H12N4O2S/c1-15-10(7-2-4-8(12)5-3-7)13-14-11(15)18-6-9(16)17/h2-5H,6,12H2,1H3,(H,16,17)/p-1
• InChIKey: WAXMXWSTXGKATB-UHFFFAOYSA-M

Properties

• Boiling point: 569.471°C at 760 mmHg (Cal.)
• Flash point: 298.206°C (Cal.)