(3E)-3-[(3-Ethyl-5-Thioxo-1,5-Dihydro-4H-1,2,4-Triazol-4-Yl)Imino]-2-Butanone
[CAS# 468753-38-0]

Identification

• Name: (3E)-3-[(3-Ethyl-5-Thioxo-1,5-Dihydro-4H-1,2,4-Triazol-4-Yl)Imino]-2-Butanone
• Synonyms: (E)-3-((3-ethyl-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)butan-2-one
• Molecular Formula: C₈H₁₂N₄OS
• Molecular Weight: 212.27
• CAS Registry Number: 468753-38-0
• SMILES: CCc1n[nH]c(=S)n1/N=C(\C)/C(=O)C
• InChI: 1S/C8H12N4OS/c1-4-7-9-10-8(14)12(7)11-5(2)6(3)13/h4H2,1-3H3,(H,10,14)/b11-5+
• InChIKey: NNZPPRKBNOJSQA-VZUCSPMQSA-N

Properties

• Density: 1.317g/cm³ (Cal.)
• Boiling point: 289.466°C at 760 mmHg (Cal.)
• Flash point: 128.865°C (Cal.)
• Refractive index: 1.634 (Cal.)