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CAS 2055041-03-5

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4-[[[(2-Carboxyethyl)thio]thioxomethyl]thio]-4-cyanopentanoic acid

Description:
4-[[[(2-Carboxyethyl)thio]thioxomethyl]thio]-4-cyanopentanoic acid is a chemical compound characterized by its complex structure, which includes multiple functional groups such as carboxylic acid, thioether, and cyanide. This compound features a pentanoic acid backbone, which is substituted at the 4-position with a thioether group that contains a thioxomethyl moiety and a carboxyethyl side chain. The presence of the cyanide group indicates potential reactivity, particularly in nucleophilic addition reactions. The thioether and thioxomethyl groups contribute to the compound's unique chemical properties, including potential applications in organic synthesis or as intermediates in pharmaceutical development. Its solubility and stability can vary depending on the pH and solvent used, which is typical for compounds with acidic and basic functional groups. Overall, this compound's intricate structure suggests it may have specialized uses in research or industry, particularly in fields related to medicinal chemistry or materials science.
Formula:C10H13NO4S3
InChI:InChI=1S/C10H13NO4S3/c1-10(6-11,4-2-7(12)13)18-9(16)17-5-3-8(14)15/h2-5H2,1H3,(H,12,13)(H,14,15)
InChI key:InChIKey=CTLAWKZAJCYIFX-UHFFFAOYSA-N
SMILES:C(SC(SCCC(O)=O)=S)(CCC(O)=O)(C#N)C
Synonyms:
  • 4-[(2-Carboxyethylsulfanylthiocarbonyl)sulfanyl]-4-cyanopentanic acid
  • 4-((((2-Carboxyethyl)thio)carbonothioyl)thio)-4-cyanopentanoic acid
  • 4-[[[(2-Carboxyethyl)thio]thioxomethyl]thio]-4-cyanopentanoic acid
  • Pentanoic acid, 4-[[[(2-carboxyethyl)thio]thioxomethyl]thio]-4-cyano-
  • BM 1433
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