CAS 951889-94-4

2-Chloro-4-(methylthio)-ε-oxobenzenehexanoic acid

Description:

2-Chloro-4-(methylthio)-ε-oxobenzenehexanoic acid, with the CAS number 951889-94-4, is a chemical compound characterized by its unique structure, which includes a chloro group, a methylthio group, and a hexanoic acid moiety. This compound features a benzene ring that is substituted at specific positions, contributing to its reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of the chloro group enhances its electrophilic properties, while the methylthio group can influence its solubility and biological activity. The ε-oxobenzene structure indicates that it may participate in various chemical reactions, such as nucleophilic substitutions or condensation reactions. Additionally, the hexanoic acid component suggests that it may exhibit fatty acid-like properties, which could affect its interactions in biological systems. Overall, this compound's distinct functional groups and structural characteristics make it a subject of interest for further research and potential applications in synthetic chemistry and medicinal chemistry.

Formula: C₁₃H₁₅ClO₃S

InChI: InChI=1S/C13H15ClO3S/c1-18-9-6-7-10(11(14)8-9)12(15)4-2-3-5-13(16)17/h6-8H,2-5H2,1H3,(H,16,17)

InChI key: InChIKey=WGDRSBJOERECRL-UHFFFAOYSA-N

SMILES: C(CCCCC(O)=O)(=O)C1=C(Cl)C=C(SC)C=C1

Synonyms:

• Benzenehexanoic acid, 2-chloro-4-(methylthio)-ε-oxo-
• 2-Chloro-4-(methylthio)-ε-oxobenzenehexanoic acid

6-[2-Chloro-4-(methylthio)phenyl]-6-oxohexanoic acid

CAS: 951889-94-4

Formula: C₁₃H₁₅ClO₃S

Purity: 97.0%

Molecular weight: 286.77

Ref: 10-F207476