CAS 187030-13-3

4-(1H-Indol-3-ylthio)butanoic acid

Description:

4-(1H-Indol-3-ylthio)butanoic acid, identified by its CAS number 187030-13-3, is an organic compound characterized by the presence of an indole moiety linked to a butanoic acid chain through a thioether bond. This compound features a sulfur atom that connects the indole ring, which is a bicyclic structure known for its aromatic properties, to a four-carbon aliphatic chain terminating in a carboxylic acid functional group. The presence of the indole structure imparts potential biological activity, as indoles are often found in various natural products and pharmaceuticals. The carboxylic acid group contributes to the compound's acidity and solubility in polar solvents. Additionally, the thioether linkage may influence the compound's reactivity and interaction with biological targets. Overall, 4-(1H-Indol-3-ylthio)butanoic acid is of interest in medicinal chemistry and biochemistry for its potential applications in drug development and as a biochemical probe.

Formula: C₁₂H₁₃NO₂S

InChI: InChI=1S/C12H13NO2S/c14-12(15)6-3-7-16-11-8-13-10-5-2-1-4-9(10)11/h1-2,4-5,8,13H,3,6-7H2,(H,14,15)

InChI key: InChIKey=NQJFDFYPIHKGRV-UHFFFAOYSA-N

SMILES: S(CCCC(O)=O)C=1C=2C(NC1)=CC=CC2

Synonyms:

• Butanoic acid, 4-(1H-indol-3-ylthio)-
• 4-(3-Indolylthio)butanoic acid
• 4-(1H-Indol-3-ylthio)butanoic acid