Description

3-Chloro-2-methylphenyl methyl sulfide (CAS No. 82961-52-2) is a high-purity organosulfur compound with the molecular formula C₈H₉ClS. This aromatic sulfide, also known by its IUPAC name 1-chloro-2-methyl-3-methylsulfanylbenzene, features a chloro and methylthio substitution on a methylated benzene ring, making it a versatile intermediate in organic synthesis. Its well-defined structure (molecular weight: 172.67 g/mol) ensures consistent reactivity, particularly in electrophilic aromatic substitution and metal-catalyzed coupling reactions. Suitable for research and industrial applications, this compound is rigorously tested for purity (typically ≥95% by GC) and is supplied in sealed containers under inert gas to prevent degradation. Ideal for pharmaceutical, agrochemical, and materials science research.

Properties

• CAS Number: 82961-52-2
• Complexity: 105
• IUPAC Name: 1-chloro-2-methyl-3-methylsulfanyl-benzene
• InChI: InChI=1S/C8H9ClS/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3
• InChI Key: QNMYJMZVOFQIRD-UHFFFAOYSA-N
• Exact Mass: 172.0113492
• Molecular Formula: C8H9ClS
• Molecular Weight: 172.68
• SMILES: CC1=C(C=CC=C1Cl)SC
• Topological: 25.3
• Monoisotopic Mass: 172.0113492
• Synonyms: 3-Chloro-2-methylphenyl methyl sulfide, 82961-52-2, 2-Methyl-3-chlorothioanisole, Benzene,1-chloro-2-methyl-3-(methylthio)-, (3-chloro-2-methylphenyl)(methyl)sulfane, 1-chloro-2-methyl-3-methylsulfanylbenzene, 1-CHLORO-2-METHYL-3-(METHYLSULFANYL)BENZENE, MFCD08458263, Benzene, 1-chloro-2-methyl-3-(methylthio)-, 2-Chloro-6-methylthiotoluene, SCHEMBL4030686, DTXSID60564198, AKOS006289233, AC-16439, AS-65045, CS-0046918, F14681

Application

3-Chloro-2-methylphenyl methyl sulfide serves as a key building block in the synthesis of bioactive molecules, including potential pharmaceuticals and agrochemicals. Its reactive methylthio and chloro groups enable functionalization via cross-coupling reactions (e.g., Suzuki, Heck). Researchers utilize it in heterocyclic chemistry to construct thioether-containing scaffolds. The compound may also act as a precursor for sulfoxide or sulfone derivatives in oxidation studies.

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.