1-[(2-Thioxo-1-Azepanyl)Methyl]-2-Pyrrolidinone
[CAS# 157439-26-4]

Identification

• Name: 1-[(2-Thioxo-1-Azepanyl)Methyl]-2-Pyrrolidinone
• Synonyms: 1-((2-thioxoazepan-1-yl)methyl)pyrrolidin-2-one
• Molecular Formula: C₁₁H₁₈N₂OS
• Molecular Weight: 226.34
• CAS Registry Number: 157439-26-4
• SMILES: C1CCC(=S)N(CC1)CN2CCCC2=O
• InChI: 1S/C11H18N2OS/c14-10-5-4-8-12(10)9-13-7-3-1-2-6-11(13)15/h1-9H2
• InChIKey: ZYAPUDHJSQJEQR-UHFFFAOYSA-N

Properties

• Density: 1.202g/cm³ (Cal.)
• Boiling point: 390.31°C at 760 mmHg (Cal.)
• Flash point: 189.853°C (Cal.)
• Refractive index: 1.594 (Cal.)