CAS 10436-83-6

Ethanethioic acid, S-(4-methylphenyl) ester

Description:

Ethanethioic acid, S-(4-methylphenyl) ester, also known as 4-methylphenyl thioacetate, is an organic compound characterized by its ester functional group derived from ethanethioic acid and 4-methylphenol. It typically appears as a colorless to pale yellow liquid with a distinct odor. The compound is soluble in organic solvents but has limited solubility in water due to its hydrophobic aromatic component. Its molecular structure features a thioester linkage, which imparts unique reactivity, particularly in nucleophilic substitution reactions. This compound is often used in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals and agrochemicals. Additionally, it may exhibit biological activity, making it of interest in medicinal chemistry. Safety data indicate that, like many thioesters, it should be handled with care due to potential irritant properties and toxicity. Proper storage in a cool, dry place away from incompatible substances is recommended to maintain stability and prevent degradation.

Formula: C₉H₁₀OS

InChI: InChI=1S/C9H10OS/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3

InChI key: InChIKey=XSQUNQSLEIFIHF-UHFFFAOYSA-N

SMILES: S(C(C)=O)C1=CC=C(C)C=C1

Synonyms:

• 4-Methylphenyl thiolacetate
• Acetic acid, thio-, S-p-tolyl ester
• Ethanethioic acid, S-(4-methylphenyl) ester
• S-p-Tolyl thioacetate
• S-(4-Methylphenyl) thioacetate