3-[(5-Ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
[CAS# 723249-75-0]

Identification

• Name: 3-[(5-Ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
• Synonyms: 3-((5-ethyl-1H-1,2,4-triazol-3-yl)thio)propanoic acid; 3-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
• Molecular Formula: C₇H₁₁N₃O₂S
• Molecular Weight: 201.25
• CAS Registry Number: 723249-75-0
• SMILES: O=C(O)CCSc1nc(nn1)CC
• InChI: 1S/C7H11N3O2S/c1-2-5-8-7(10-9-5)13-4-3-6(11)12/h2-4H2,1H3,(H,11,12)(H,8,9,10)
• InChIKey: YNHCZOBJXKQIQD-UHFFFAOYSA-N

Properties

• Density: 1.379g/cm³ (Cal.)
• Boiling point: 469.706°C at 760 mmHg (Cal.)
• Flash point: 237.87°C (Cal.)
• Refractive index: 1.587 (Cal.)