CAS 951886-93-4

Ethyl 2-chloro-4-(methylthio)-ε-oxobenzenehexanoate

Description:

Ethyl 2-chloro-4-(methylthio)-ε-oxobenzenehexanoate, with the CAS number 951886-93-4, is a chemical compound that belongs to the class of esters. It features a complex structure characterized by the presence of a chloro group, a methylthio group, and an oxobenzene moiety, which contribute to its unique chemical properties. The compound is likely to exhibit moderate to high lipophilicity due to its long hydrocarbon chain and aromatic ring, which can influence its solubility in organic solvents. The presence of the chloro and methylthio substituents may also impart specific reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. Ethyl 2-chloro-4-(methylthio)-ε-oxobenzenehexanoate may have applications in organic synthesis, pharmaceuticals, or agrochemicals, although specific applications would depend on further research into its biological activity and reactivity. Safety data and handling precautions should be considered, as halogenated compounds can pose environmental and health risks.

Formula: C₁₅H₁₉ClO₃S

InChI: InChI=1S/C15H19ClO3S/c1-3-19-15(18)7-5-4-6-14(17)12-9-8-11(20-2)10-13(12)16/h8-10H,3-7H2,1-2H3

InChI key: InChIKey=YIMOTTGRANEVLT-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 2-chloro-4-(methylthio)-ε-oxobenzenehexanoate
• Benzenehexanoic acid, 2-chloro-4-(methylthio)-ε-oxo-, ethyl ester