[(4-Methyl-4H-1,2,4-Triazol-3-Yl)Sulfanyl]Acetic Acid
[CAS# 200816-06-4]

Identification

• Name: [(4-Methyl-4H-1,2,4-Triazol-3-Yl)Sulfanyl]Acetic Acid
• Synonyms: acid; (4-Methyl-4 H -[1,2,4]triazol-3-ylsulfanyl)-acetic; (4-Methyl-4 H -[1,2,4]triazol-3-ylsulfanyl)-acetic acid
• Molecular Formula: C₅H₇N₃O₂S
• Molecular Weight: 173.19
• CAS Registry Number: 200816-06-4
• SMILES: O=C(O)CSc1nncn1C
• InChI: 1S/C5H7N3O2S/c1-8-3-6-7-5(8)11-2-4(9)10/h3H,2H2,1H3,(H,9,10)
• InChIKey: DYBWSXCOOHHRFY-UHFFFAOYSA-N

Properties

• Density: 1.535g/cm³ (Cal.)
• Boiling point: 413.969°C at 760 mmHg (Cal.)
• Flash point: 204.161°C (Cal.)
• Refractive index: 1.676 (Cal.)

Safety Data

• Safety Description: IRRITANT