(1R,4S,5S,6S)-4-Amino-2-Thiabicyclo[3.1.0]Hexane-4,6-Dicarboxylic Acid
[CAS# 222529-90-0]

Identification

• Name: (1R,4S,5S,6S)-4-Amino-2-Thiabicyclo[3.1.0]Hexane-4,6-Dicarboxylic Acid
• Synonyms: (1R,4S,5S,6S)-4-amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid; (1R,4S,5S,6S)-4-amino-2-thia-bicyclo[3.1.0]hexane-4,6-dicarboxylic acid; 2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid, 4-amino-, (1R,4S,5S,6S)-
• Molecular Formula: C₇H₉NO₄S
• Molecular Weight: 203.22
• CAS Registry Number: 222529-90-0
• SMILES: C1[C@]([C@@H]2[C@H]([C@@H]2S1)C(=O)O)(C(=O)O)N
• InChI: 1S/C7H9NO4S/c8-7(6(11)12)1-13-4-2(3(4)7)5(9)10/h2-4H,1,8H2,(H,9,10)(H,11,12)/t2-,3-,4+,7+/m1/s1
• InChIKey: QBHIOYZCUZBIEN-MDASVERJSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 444.7±45.0°C at 760 mmHg (Cal.)
• Flash point: 222.8±28.7°C (Cal.)
• Refractive index: 1.691 (Cal.)