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CAS 85582-63-4

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Ethanethioic acid, S-[(3-fluorophenyl)methyl] ester

Description:
Ethanethioic acid, S-[(3-fluorophenyl)methyl] ester, also known by its CAS number 85582-63-4, is an organic compound characterized by the presence of a thioester functional group. This compound features a thiocarboxylic acid derivative where the sulfur atom is bonded to an ethyl group and a 3-fluorobenzyl moiety. The presence of the fluorine atom in the aromatic ring can influence the compound's reactivity and polarity, potentially enhancing its biological activity or altering its interaction with other chemical species. Typically, thioesters are known for their role in biochemical processes, such as in the synthesis of fatty acids and in various enzymatic reactions. The compound may exhibit properties such as moderate volatility and solubility in organic solvents, making it useful in synthetic organic chemistry. Additionally, the specific substitution pattern on the aromatic ring can impart unique characteristics, affecting its stability, reactivity, and potential applications in pharmaceuticals or agrochemicals. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.
Formula:C9H9FOS
InChI:InChI=1S/C9H9FOS/c1-7(11)12-6-8-3-2-4-9(10)5-8/h2-5H,6H2,1H3
InChI key:InChIKey=OPTDNRJVRLGQQR-UHFFFAOYSA-N
SMILES:C(SC(C)=O)C1=CC(F)=CC=C1
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