3-Methyl-1-(2-Thioxo-1-Azepanyl)-3-Buten-1-One
[CAS# 125880-11-7]

Identification

• Name: 3-Methyl-1-(2-Thioxo-1-Azepanyl)-3-Buten-1-One
• Synonyms: 3-methyl-1-(2-thioxoazepan-1-yl)but-3-en-1-one
• Molecular Formula: C₁₁H₁₇NOS
• Molecular Weight: 211.32
• CAS Registry Number: 125880-11-7
• SMILES: CC(=C)CC(=O)N1CCCCCC1=S
• InChI: 1S/C11H17NOS/c1-9(2)8-10(13)12-7-5-3-4-6-11(12)14/h1,3-8H2,2H3
• InChIKey: KADPHUCQRVBGGT-UHFFFAOYSA-N

Properties

• Density: 1.079g/cm³ (Cal.)
• Boiling point: 300.803°C at 760 mmHg (Cal.)
• Flash point: 135.721°C (Cal.)
• Refractive index: 1.542 (Cal.)