Ethyl (3S)-5-Amino-2,3,6,7-Tetrahydro-1,4-Thiazepine-3-Carboxylate
[CAS# 384330-28-3]

Identification

• Name: Ethyl (3S)-5-Amino-2,3,6,7-Tetrahydro-1,4-Thiazepine-3-Carboxylate
• Synonyms: (S)-5-Imino-[1,4]thiazepane-3-carboxylic acid ethyl ester; (S)-ethyl 5-amino-2,3,6,7-tetrahydro-1,4-thiazepine-3-carboxylate
• Molecular Formula: C₈H₁₄N₂O₂S
• Molecular Weight: 202.27
• CAS Registry Number: 384330-28-3
• SMILES: CCOC(=O)[C@H]1CSCCC(=N1)N
• InChI: 1S/C8H14N2O2S/c1-2-12-8(11)6-5-13-4-3-7(9)10-6/h6H,2-5H2,1H3,(H2,9,10)/t6-/m1/s1
• InChIKey: LNSHKGOQQSVQCM-ZCFIWIBFSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 346.0±52.0°C at 760 mmHg (Cal.)
• Flash point: 163.1±30.7°C (Cal.)
• Refractive index: 1.597 (Cal.)