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CAS 74431-50-8

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3-(Benzoylthio)-2-methylpropanoic acid

Description:
3-(Benzoylthio)-2-methylpropanoic acid, with the CAS number 74431-50-8, is an organic compound characterized by the presence of a benzoylthio group and a carboxylic acid functional group. This compound typically exhibits properties associated with both thioesters and carboxylic acids, including potential reactivity due to the presence of the thiol and carbonyl functionalities. It is likely to be a white to off-white solid at room temperature, with moderate solubility in organic solvents and limited solubility in water, typical of many carboxylic acids. The compound may participate in various chemical reactions, such as esterification, amidation, or nucleophilic substitution, due to its functional groups. Additionally, it may exhibit biological activity, making it of interest in pharmaceutical and chemical research. Safety data should be consulted for handling, as compounds with thiol and carboxylic acid groups can have specific hazards associated with them. Overall, 3-(Benzoylthio)-2-methylpropanoic acid is a versatile compound with potential applications in organic synthesis and medicinal chemistry.
Formula:C11H12O3S
InChI:InChI=1S/C11H12O3S/c1-8(10(12)13)7-15-11(14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)
InChI key:InChIKey=BCAYPPFBOJCRPN-UHFFFAOYSA-N
SMILES:C(SCC(C(O)=O)C)(=O)C1=CC=CC=C1
Synonyms:
  • 3-(Benzoylthio)isobutyric acid
  • Propanoic acid, 3-(benzoylthio)-2-methyl-, (±)-
  • Propanoic acid, 3-(benzoylthio)-2-methyl-
  • 3-(Benzoylthio)-2-methylpropionic acid
  • 3-(Benzoylthio)-2-methylpropanoic acid
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