Methyl 3-(2-Thioxo-1-Azepanyl)Propanoate
[CAS# 125627-72-7]

Identification

• Name: Methyl 3-(2-Thioxo-1-Azepanyl)Propanoate
• Synonyms: methyl 3-(2-thioxoazepan-1-yl)propanoate
• Molecular Formula: C₁₀H₁₇NO₂S
• Molecular Weight: 215.31
• CAS Registry Number: 125627-72-7
• SMILES: COC(=O)CCN1CCCCCC1=S
• InChI: 1S/C10H17NO2S/c1-13-10(12)6-8-11-7-4-2-3-5-9(11)14/h2-8H2,1H3
• InChIKey: LWXWVQURWBGWRS-UHFFFAOYSA-N

Properties

• Density: 1.13g/cm³ (Cal.)
• Boiling point: 311.433°C at 760 mmHg (Cal.)
• Flash point: 142.15°C (Cal.)
• Refractive index: 1.533 (Cal.)