(5R)-2,5,6,7-Tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid
[CAS# 87254-95-3]

Identification

• Name: (5R)-2,5,6,7-Tetrahydro-1,4-thiazepine-3,5-dicarboxylic acid
• Synonyms: 1,4-Thiazepine-3,5-dicarboxylic acid, 2,5,6,7-tetrahydro-, (R)-; Cystathionine ketimine
• Molecular Formula: C₇H₉NO₄S
• Molecular Weight: 203.22
• CAS Registry Number: 87254-95-3
• SMILES: O=C(O)[C@@H]1/N=C(/C(=O)O)CSCC1
• InChI: 1S/C7H9NO4S/c9-6(10)4-1-2-13-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)/t4-/m1/s1
• InChIKey: XJUQJVUYGRTQGI-SCSAIBSYSA-N

Properties

• Density: 1.625g/cm³ (Cal.)
• Boiling point: 497.9°C at 760 mmHg (Cal.)
• Flash point: 254.921°C (Cal.)