(2S,5R,6R)-6-Amino-3,7-Dioxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
[CAS# 422270-19-7]

Identification

• Name: (2S,5R,6R)-6-Amino-3,7-Dioxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Synonyms: (2S,5R,6R)-6-amino-3,7-dioxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• Molecular Formula: C₆H₆N₂O₄S
• Molecular Weight: 202.19
• CAS Registry Number: 422270-19-7
• SMILES: [C@@H]1([C@@H]2N(C1=O)[C@H](C(=O)S2)C(=O)O)N
• InChI: 1S/C6H6N2O4S/c7-1-3(9)8-2(5(10)11)6(12)13-4(1)8/h1-2,4H,7H2,(H,10,11)/t1-,2+,4-/m1/s1
• InChIKey: VUIHBNYWYAJEGH-JEKCGHMHSA-N

Properties

• Density: 1.908g/cm³ (Cal.)
• Boiling point: 617.821°C at 760 mmHg (Cal.)
• Flash point: 327.446°C (Cal.)
• Refractive index: 1.748 (Cal.)