(2E)-2-[(3-Ethyl-5-Thioxo-1,5-Dihydro-4H-1,2,4-Triazol-4-Yl)Imino]Propanoic Acid
[CAS# 468753-39-1]

Identification

• Name: (2E)-2-[(3-Ethyl-5-Thioxo-1,5-Dihydro-4H-1,2,4-Triazol-4-Yl)Imino]Propanoic Acid
• Synonyms: (E)-2-((3-ethyl-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)propanoic acid
• Molecular Formula: C₇H₁₀N₄O₂S
• Molecular Weight: 214.24
• CAS Registry Number: 468753-39-1
• SMILES: CCc1n[nH]c(=S)n1/N=C(\C)/C(=O)O
• InChI: 1S/C7H10N4O2S/c1-3-5-8-9-7(14)11(5)10-4(2)6(12)13/h3H2,1-2H3,(H,9,14)(H,12,13)/b10-4+
• InChIKey: VYKOBESCESADLG-ONNFQVAWSA-N

Properties

• Density: 1.496g/cm³ (Cal.)
• Boiling point: 335.608°C at 760 mmHg (Cal.)
• Flash point: 156.77°C (Cal.)
• Refractive index: 1.679 (Cal.)