2,5,6,7-Tetrahydro-1,4-Thiazepine-3-Carboxylic Acid
[CAS# 138407-03-1]

Identification

• Name: 2,5,6,7-Tetrahydro-1,4-Thiazepine-3-Carboxylic Acid
• Synonyms: 2,5,6,7-tetrahydro-1,4-thiazepine-3-carboxylic acid
• Molecular Formula: C₆H₉NO₂S
• Molecular Weight: 159.21
• CAS Registry Number: 138407-03-1
• SMILES: C1CN=C(CSC1)C(=O)O
• InChI: 1S/C6H9NO2S/c8-6(9)5-4-10-3-1-2-7-5/h1-4H2,(H,8,9)
• InChIKey: CRUOSAMZZKGMRW-UHFFFAOYSA-N

Properties

• Density: 1.394g/cm³ (Cal.)
• Boiling point: 348.049°C at 760 mmHg (Cal.)
• Flash point: 164.294°C (Cal.)
• Refractive index: 1.622 (Cal.)