CAS 1058159-90-2

Ethyl 4-(phenylthio)-2-butynoate

Description:

Ethyl 4-(phenylthio)-2-butynoate is an organic compound characterized by its unique structure, which includes an ethyl ester functional group and a butynoate moiety. This compound features a phenylthio group, which contributes to its chemical reactivity and potential applications in organic synthesis. Typically, compounds like this exhibit moderate to high lipophilicity due to the presence of the phenyl group, which can influence their solubility in organic solvents. Ethyl 4-(phenylthio)-2-butynoate may also display interesting reactivity patterns, such as participating in nucleophilic substitution reactions or serving as a building block in the synthesis of more complex molecules. Its potential applications could span various fields, including pharmaceuticals and agrochemicals, where such compounds are often explored for their biological activity. As with many organic compounds, safety data should be consulted to understand its handling and toxicity profiles. Overall, this compound represents a valuable entity in the realm of synthetic organic chemistry.

Formula: C₁₂H₁₂O₂S

InChI: InChI=1S/C12H12O2S/c1-2-14-12(13)9-6-10-15-11-7-4-3-5-8-11/h3-5,7-8H,2,10H2,1H3

InChI key: InChIKey=OTQDYIFICRMJLF-UHFFFAOYSA-N

SMILES: S(CC#CC(OCC)=O)C1=CC=CC=C1

Synonyms:

• 2-Butynoic acid, 4-(phenylthio)-, ethyl ester
• Ethyl 4-(phenylthio)-2-butynoate