[(4-Ethyl-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
[CAS# 603071-16-5]

Identification

• Name: [(4-Ethyl-5-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
• Synonyms: (4-Ethyl-5-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid; 2-((4-ethyl-5-propyl-4H-1,2,4-triazol-3-yl)thio)acetic acid
• Molecular Formula: C₉H₁₅N₃O₂S
• Molecular Weight: 229.30
• CAS Registry Number: 603071-16-5
• SMILES: CCCC1=NN=C(N1CC)SCC(=O)O
• InChI: 1S/C9H15N3O2S/c1-3-5-7-10-11-9(12(7)4-2)15-6-8(13)14/h3-6H2,1-2H3,(H,13,14)
• InChIKey: NCTQTDVLLYIHQH-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 439.8±47.0°C at 760 mmHg (Cal.)
• Flash point: 219.8±29.3°C (Cal.)
• Refractive index: 1.603 (Cal.)