6-Bromopenicillanic acid S-sulfoxide
[CAS# 79703-02-9]

Identification

• Name: 6-Bromopenicillanic acid S-sulfoxide
• Synonyms: (2S,5R,6S)-6-Bromo-4,7-Diketo-3,3-Dimethyl-4$L^{4}-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 6-Bromopenicillanic Acid S-Sulfoxide; 4-Thia-1-Azabicyclo(3.2.0)Heptane-2-Carboxylic Acid, 6-Bromo-3,3-Dimethyl-7-Oxo-, 4-Oxide, (2S-(2Alpha,5Alpha,6Alpha))-
• Molecular Formula: C₈H₁₀BrNO₄S
• Molecular Weight: 296.14
• CAS Registry Number: 79703-02-9
• SMILES: [C@H]1(N2[C@H]([S](C1(C)C)=O)[C@H](C2=O)Br)C(=O)O
• InChI: 1S/C8H10BrNO4S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)15(8)14/h3-4,6H,1-2H3,(H,12,13)/t3-,4-,6+,15?/m0/s1
• InChIKey: LNXWCZHUJOCCBY-AMVCQHSUSA-N

Properties

• Density: 1.998g/cm³ (Cal.)
• Boiling point: 585.242°C at 760 mmHg (Cal.)
• Flash point: 307.743°C (Cal.)