2-Oxo-1-azepanecarbothioic S-acid
[CAS# 385419-94-3]

Identification

• Name: 2-Oxo-1-azepanecarbothioic S-acid
• Synonyms: 2-oxoazepane-1-carbothioic O-acid
• Molecular Formula: C₇H₁₁NO₂S
• Molecular Weight: 173.23
• CAS Registry Number: 385419-94-3
• SMILES: C1CCC(=O)N(CC1)C(=S)O
• InChI: 1S/C7H11NO2S/c9-6-4-2-1-3-5-8(6)7(10)11/h1-5H2,(H,10,11)
• InChIKey: XUDCITKWAKIFMN-UHFFFAOYSA-N

Properties

• Density: 1.314g/cm³ (Cal.)
• Boiling point: 301.909°C at 760 mmHg (Cal.)
• Flash point: 136.39°C (Cal.)
• Refractive index: 1.594 (Cal.)