Description

2-((4-Methoxyphenyl)thio)acetic acid (CAS No. 3406-77-7) is a high-purity organic compound with the molecular formula C₉H₁₀O₃S. This specialized chemical features a methoxyphenylthioacetic acid structure, making it valuable for synthetic organic chemistry and pharmaceutical research applications. The product is supplied as a fine crystalline powder with ≥95% purity (HPLC), ensuring optimal performance in demanding laboratory and industrial processes. Its unique thioether and carboxylic acid functional groups enable versatile reactivity, particularly in nucleophilic substitution reactions and as a building block for more complex molecules. Each batch undergoes rigorous QC testing including NMR, HPLC, and mass spectrometry to guarantee consistency and traceability. Suitable for use under inert atmosphere due to potential sensitivity to oxidation. Store in a cool, dry place away from light and moisture.

Properties

• CAS Number: 3406-77-7
• Complexity: 164
• IUPAC Name: 2-(4-methoxyphenyl)sulfanylacetic acid
• InChI: InChI=1S/C9H10O3S/c1-12-7-2-4-8(5-3-7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
• InChI Key: WPRFIGTZKOUYRL-UHFFFAOYSA-N
• Exact Mass: 198.03506535
• Molecular Formula: C9H10O3S
• Molecular Weight: 198.24
• SMILES: COC1=CC=C(C=C1)SCC(=O)O
• Topological: 71.8
• Monoisotopic Mass: 198.03506535
• Synonyms: 2-((4-methoxyphenyl)thio)acetic acid, 3406-77-7, [(4-methoxyphenyl)thio]acetic acid, 2-(4-methoxyphenyl)sulfanylacetic acid, F2145-0099, 2-[(4-methoxyphenyl)sulfanyl]acetic acid, (4-Methoxy-phenylsulfanyl)-acetic acid, Enamine_000580, SCHEMBL4255888, (p-methoxyphenylthio)acetic acid, CHEMBL5491131, WPRFIGTZKOUYRL-UHFFFAOYSA-N, HMS1395K08, SMSSF-0533386, 2-(4-methoxyphenylthio)acetic acid, DAA40677, 2-((4-methoxyphenyl)thio)aceticacid, MFCD00570562, AKOS000264597, acetic acid, 2-(4-methoxyphenyl)thio-, ST095149, EN300-12995, E86007, Z56770877

This compound serves as a key intermediate in the synthesis of biologically active molecules, particularly in pharmaceutical research targeting sulfur-containing therapeutics. Its bifunctional nature allows for conjugation chemistry in drug development, especially for prodrug formulations. Researchers utilize it in heterocyclic compound synthesis and as a precursor for materials science applications requiring sulfur incorporation. The methoxy group enhances solubility in organic solvents, facilitating reactions under mild conditions.

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