CAS 898754-45-5
:ethyl 4-[3-(2-methylsulfanylphenyl)propanoyl]benzoate
Description:
Ethyl 4-[3-(2-methylsulfanylphenyl)propanoyl]benzoate, identified by its CAS number 898754-45-5, is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. This compound features a complex structure that includes a benzoate moiety and a propanoyl group, along with a methylsulfanyl substituent on the phenyl ring. The presence of the methylsulfanyl group suggests potential applications in medicinal chemistry, as sulfur-containing compounds often exhibit unique biological activities. Ethyl 4-[3-(2-methylsulfanylphenyl)propanoyl]benzoate is likely to be a solid or liquid at room temperature, depending on its molecular weight and intermolecular interactions. Its solubility in organic solvents and potential reactivity can make it useful in various chemical syntheses or as an intermediate in the production of pharmaceuticals or agrochemicals. As with many organic compounds, safety data should be consulted for handling and storage, as well as potential environmental impacts.
Formula:C19H20O3S
InChI:InChI=1/C19H20O3S/c1-3-22-19(21)16-10-8-14(9-11-16)17(20)13-12-15-6-4-5-7-18(15)23-2/h4-11H,3,12-13H2,1-2H3
SMILES:CCOC(=O)c1ccc(cc1)C(=O)CCc1ccccc1SC
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