Description

2-(2-((4-Chlorophenyl)thio)phenyl)acetic acid (CAS No. 13459-62-6) is a high-purity organic compound with the molecular formula C₁₄H₁₁ClO₂S, widely utilized in pharmaceutical and chemical research. This compound features a benzeneacetic acid core substituted with a (4-chlorophenyl)thio group, offering unique reactivity for synthetic applications. With a molecular weight of 278.75 g/mol, it is supplied as a fine white to off-white crystalline powder with ≥95% purity (HPLC). Ideal for use as an intermediate in drug discovery, material science, and ligand synthesis, this product is rigorously tested for consistency and stored under controlled conditions to ensure stability. Available in customizable quantities from milligrams to bulk scale, packaged under inert gas to prevent degradation.

Properties

• CAS Number: 13459-62-6
• Complexity: 277
• IUPAC Name: 2-[2-(4-chlorophenyl)sulfanylphenyl]acetic acid
• InChI: InChI=1S/C14H11ClO2S/c15-11-5-7-12(8-6-11)18-13-4-2-1-3-10(13)9-14(16)17/h1-8H,9H2,(H,16,17)
• InChI Key: WZICWIASCZNZHO-UHFFFAOYSA-N
• Exact Mass: 278.0168285
• Molecular Formula: C14H11ClO2S
• Molecular Weight: 278.8
• SMILES: C1=CC=C(C(=C1)CC(=O)O)SC2=CC=C(C=C2)Cl
• Topological: 62.6
• Monoisotopic Mass: 278.0168285
• Synonyms: 13459-62-6, 2-(2-((4-Chlorophenyl)thio)phenyl)acetic acid, Benzeneacetic acid, 2-[(4-chlorophenyl)thio]-, 2-[2-(4-chlorophenyl)sulfanylphenyl]acetic acid, 2-[(4-Chlorophenyl)thio]benzeneacetic acid, {2-[(4-chlorophenyl)sulfanyl]phenyl}acetic acid, AE-641/00686016, SCHEMBL27971821, DTXSID601335236, CS-0444774, 2-(2-((4-Chlorophenyl)thio)phenyl)aceticacid, G78672

Application

2-(2-((4-Chlorophenyl)thio)phenyl)acetic acid serves as a key intermediate in the synthesis of bioactive molecules, particularly in developing nonsteroidal anti-inflammatory drugs (NSAIDs) and enzyme inhibitors. Its thioether-linked aromatic structure makes it valuable for studying structure-activity relationships (SAR) in medicinal chemistry. Researchers also employ it in cross-coupling reactions and as a building block for functionalized polymers or ligands in catalysis.

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