(2S,3S,5R)-3-Ethyl-3-Methyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
[CAS# 422270-18-6]

Identification

• Name: (2S,3S,5R)-3-Ethyl-3-Methyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Synonyms: (2S,3S,5R)-3-ethyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• Molecular Formula: C₉H₁₃NO₃S
• Molecular Weight: 215.27
• CAS Registry Number: 422270-18-6
• SMILES: CC[C@]1([C@@H](N2[C@H](S1)CC2=O)C(=O)O)C
• InChI: 1S/C9H13NO3S/c1-3-9(2)7(8(12)13)10-5(11)4-6(10)14-9/h6-7H,3-4H2,1-2H3,(H,12,13)/t6-,7+,9+/m1/s1
• InChIKey: CWJUUCAXBIJRBW-FJXKBIBVSA-N

Properties

• Density: 1.397g/cm³ (Cal.)
• Boiling point: 427.503°C at 760 mmHg (Cal.)
• Flash point: 212.346°C (Cal.)
• Refractive index: 1.608 (Cal.)