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CAS 3996-39-2

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2-[(3-Bromophenyl)thio]acetic acid

Description:
2-[(3-Bromophenyl)thio]acetic acid, with the CAS number 3996-39-2, is an organic compound characterized by the presence of a thioether functional group and a carboxylic acid group. This compound features a brominated phenyl ring, which enhances its reactivity and potential biological activity. The thioether linkage contributes to its unique chemical properties, making it a subject of interest in various fields, including medicinal chemistry and organic synthesis. Typically, compounds like this exhibit moderate solubility in polar solvents due to the presence of the carboxylic acid group, while the bromine substituent can influence the compound's electronic properties and steric effects. The presence of the sulfur atom in the thioether group may also impart distinct reactivity patterns, such as nucleophilicity. Overall, 2-[(3-Bromophenyl)thio]acetic acid is a versatile compound that can serve as a building block in the synthesis of more complex molecules or as a potential lead compound in drug discovery.
Formula:C8H7BrO2S
InChI:InChI=1S/C8H7BrO2S/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChI key:InChIKey=UNNRBTRSXFWJTG-UHFFFAOYSA-N
SMILES:S(CC(O)=O)C1=CC(Br)=CC=C1
Synonyms:
  • Acetic acid, [(3-bromophenyl)thio]-
  • Acetic acid, [(m-bromophenyl)thio]-
  • 2-[(3-Bromophenyl)thio]acetic acid
  • Acetic acid, 2-[(3-bromophenyl)thio]-
  • m-Bromophenylmercaptoacetic acid
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