[(4-Amino-5-Phenyl-4H-1,2,4-Triazol-3-Yl)Sulfanyl]Acetic Acid
[CAS# 114402-22-1]

Identification

• Name: [(4-Amino-5-Phenyl-4H-1,2,4-Triazol-3-Yl)Sulfanyl]Acetic Acid
• Synonyms: (4-Amino-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid; [(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid; [(4-Amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-acetic acid
• Molecular Formula: C₁₀H₁₀N₄O₂S
• Molecular Weight: 250.28
• CAS Registry Number: 114402-22-1
• SMILES: O=C(O)CSc1nnc(n1N)c2ccccc2
• InChI: 1S/C10H10N4O2S/c11-14-9(7-4-2-1-3-5-7)12-13-10(14)17-6-8(15)16/h1-5H,6,11H2,(H,15,16)
• InChIKey: MXKJHOYDQUYSEW-UHFFFAOYSA-N

Properties

• Density: 1.538g/cm³ (Cal.)
• Boiling point: 554.006°C at 760 mmHg (Cal.)
• Flash point: 288.852°C (Cal.)
• Refractive index: 1.731 (Cal.)

Safety Data

• Safety Description: IRRITANT