2-[(3-Ethyl-1H-1,2,4-Triazol-5-Yl)Sulfanyl]Propanoic Acid
[CAS# 459178-98-4]

Identification

• Name: 2-[(3-Ethyl-1H-1,2,4-Triazol-5-Yl)Sulfanyl]Propanoic Acid
• Synonyms: 2-((5-ethyl-1H-1,2,4-triazol-3-yl)thio)propanoic acid
• Molecular Formula: C₇H₁₁N₃O₂S
• Molecular Weight: 201.25
• CAS Registry Number: 459178-98-4
• SMILES: CCc1[nH]nc(n1)SC(C)C(=O)O
• InChI: 1S/C7H11N3O2S/c1-3-5-8-7(10-9-5)13-4(2)6(11)12/h4H,3H2,1-2H3,(H,11,12)(H,8,9,10)
• InChIKey: RTNQSXLXFWMMLY-UHFFFAOYSA-N

Properties

• Density: 1.373g/cm³ (Cal.)
• Boiling point: 443.221°C at 760 mmHg (Cal.)
• Flash point: 221.853°C (Cal.)
• Refractive index: 1.584 (Cal.)