(2S,5R)-6,6-Dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

CAS Registry Number®

24158-88-1

CAS Name

(2S,5R)-6,6-Dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Molecular Formula

C8H9Br2NO3S

Molecular Mass

359.04

Cite this Page

(2S,5R)-6,6-Dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24158-88-1 (retrieved 2024-11-22) (CAS RN: 24158-88-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    142-145 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H9Br2NO3S/c1-7(2)3(4(12)13)11-5(14)8(9,10)6(11)15-7/h3,6H,1-2H3,(H,12,13)/t3-,6+/m0/s1

InChIKey

InChIKey=YLGIIVBDSLVWDR-BBIVZNJYSA-N

SMILES

C(O)(=O)[C@@H]1N2[C@@](C(Br)(Br)C2=O)(SC1(C)C)[H]

Canonical SMILES

O=C(O)C1N2C(=O)C(Br)(Br)C2SC1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6,6-dibromo-3,3-dimethyl-7-oxo-, (2S,5R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6,6-dibromo-3,3-dimethyl-7-oxo-, (2S-cis)-
  • (2S,5R)-6,6-Dibromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 6,6-Dibromopenicillanic acid

CAS INSIGHTSTM
Hourglass and a clock