(2S-Cis)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
[CAS# 87-53-6]

Identification

• Name: (2S-Cis)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Synonyms: (2S,5R)-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; Penicillanic Acid; 2,2-Dimethylpenam-3Alpha-Carboxylic Acid
• Molecular Formula: C₈H₁₁NO₃S
• Molecular Weight: 201.24
• CAS Registry Number: 87-53-6
• EINECS: 201-750-3
• SMILES: [C@H]1(N2[C@H](SC1(C)C)CC2=O)C(=O)O
• InChI: 1S/C8H11NO3S/c1-8(2)6(7(11)12)9-4(10)3-5(9)13-8/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1
• InChIKey: RBKMMJSQKNKNEV-RITPCOANSA-N

Properties

• Density: 1.461g/cm³ (Cal.)
• Boiling point: 423.844°C at 760 mmHg (Cal.)
• Flash point: 210.133°C (Cal.)