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CAS 5450-31-7

:

2-[(6-Chloro-1H-benzimidazol-2-yl)thio]acetic acid

Description:
2-[(6-Chloro-1H-benzimidazol-2-yl)thio]acetic acid, with the CAS number 5450-31-7, is a chemical compound characterized by its unique structure, which includes a benzimidazole moiety and a thioacetic acid functional group. This compound typically exhibits properties such as moderate solubility in polar solvents due to the presence of the carboxylic acid group, while its aromatic ring may contribute to hydrophobic interactions. The chlorine substituent on the benzimidazole ring can influence its reactivity and biological activity, potentially enhancing its pharmacological properties. As a thioacetic acid derivative, it may participate in various chemical reactions, including nucleophilic substitutions and acylation processes. The compound's biological significance may be linked to its potential as a pharmaceutical agent, particularly in the context of antimicrobial or anticancer activities, although specific applications would depend on further research and testing. Overall, 2-[(6-Chloro-1H-benzimidazol-2-yl)thio]acetic acid represents a compound of interest in medicinal chemistry and organic synthesis.
Formula:C9H7ClN2O2S
InChI:InChI=1/C9H7ClN2O2S/c10-5-1-2-6-7(3-5)12-9(11-6)15-4-8(13)14/h1-3H,4H2,(H,11,12)(H,13,14)
InChI key:InChIKey=GBMGBPADBDLEKL-UHFFFAOYSA-N
SMILES:S(CC(O)=O)C=1NC=2C(N1)=CC(Cl)=CC2
Synonyms:
  • 2-[(6-Chloro-1H-benzimidazol-2-yl)thio]acetic acid
  • Acetic acid, [(5-chloro-1H-benzimidazol-2-yl)thio]-
  • Acetic acid, [(5-chloro-2-benzimidazolyl)thio]-
  • Acetic acid, 2-[(5-chloro-1H-benzimidazol-2-yl)thio]-
  • Acetic acid, [5(or 6)-chloro-2-benzimidazolylthio]-
  • Acetic acid, 2-[(6-chloro-1H-benzimidazol-2-yl)thio]-
  • [(5-Chloro-1H-benzimidazol-2-yl)sulfanyl]acetic acid
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