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CAS 2899-66-3

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3-[(Phenylmethyl)thio]propanoic acid

Description:
3-[(Phenylmethyl)thio]propanoic acid, with the CAS number 2899-66-3, is an organic compound characterized by the presence of a propanoic acid backbone substituted with a phenylmethylthio group. This compound features a thiol ether functional group, which contributes to its reactivity and potential applications in organic synthesis. The presence of the phenyl group enhances its hydrophobic characteristics, while the carboxylic acid group provides acidic properties, allowing for potential interactions in various chemical environments. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The compound's structure suggests potential uses in pharmaceuticals, agrochemicals, or as a building block in organic synthesis due to its unique functional groups. Additionally, its reactivity can be influenced by the steric and electronic effects of the phenylmethyl group, making it a subject of interest in studies related to chemical reactivity and synthesis. Safety data should be consulted for handling and storage, as with any chemical substance.
Formula:C10H12O2S
InChI:InChI=1S/C10H12O2S/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)
InChI key:InChIKey=NDBNSZKHDMXOJE-UHFFFAOYSA-N
SMILES:C(SCCC(O)=O)C1=CC=CC=C1
Synonyms:
  • (Bzl)Sch2Ch2Cooh
  • 3-(Benzylsulfanyl)propanoic acid
  • 3-(Benzylthio)propanoic acid
  • 3-[(Phenylmethyl)thio]propanoic acid
  • NSC 5996
  • NSC 8528
  • Propanoic acid, 3-[(phenylmethyl)thio]-
  • Propionic acid, 3-(benzylthio)-
  • S-Benzyl-β-mercaptopropionic acid
  • β-(Benzylthio)propionic acid
  • See more synonyms
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