Description

Benzene, 1-methyl-4-(methylthio)- (CAS No. 623-13-2), also known as 1-methyl-4-methylsulfanylbenzene, is a high-purity organic sulfur compound with the molecular formula C₈H₁₀S. This aromatic sulfide is widely utilized in organic synthesis, pharmaceutical intermediates, and material science applications. Its unique structure, featuring a methylthio group para to a methyl substituent on a benzene ring, makes it a valuable building block for advanced chemical transformations. Available in >98% purity (GC), this compound is supplied in sealed containers to ensure stability and prevent degradation. Ideal for researchers requiring precise and reliable reagents for heterocyclic chemistry, catalysis, or functional material development.

Properties

• CAS Number: 623-13-2
• Complexity: 72.6
• IUPAC Name: 1-methyl-4-methylsulfanyl-benzene
• InChI: InChI=1S/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3
• InChI Key: VHILIAIEEYLJNA-UHFFFAOYSA-N
• Exact Mass: 138.05032149
• Molecular Formula: C8H10S
• Molecular Weight: 138.23
• SMILES: CC1=CC=C(C=C1)SC
• Topological: 25.3
• Monoisotopic Mass: 138.05032149
• Synonyms: Methyl p-tolyl sulfide, 623-13-2, 4-Methylthioanisole, 4-(Methylthio)toluene, p-(Methylthio)toluene, Benzene, 1-methyl-4-(methylthio)-, p-Tolyl methyl sulfide, Sulfide, methyl p-tolyl, Methyl p-cresyl sulfide, p-Cresyl methyl sulfide, p-Methylphenyl methyl sulfide, 1-Methyl-4-(methylsulfanyl)benzene, 4-Methyl-(1-thiaethyl)benzene, methyl(p-tolyl)sulfane, Methyl p-tolyl sulphide, NSC 6256, EINECS 210-773-8, 4-methylphenyl methylsulfide, methyl 4-methylphenyl sulfide, AI3-18866, DTXSID6060765, CHEBI:134483, DTXCID2043296, Sulfide, methyl p-tolyl (8CI), 210-773-8, (4-Methylthio)toluene, 1-methyl-4-methylsulfanylbenzene, methyl p-tolylsulfide, 1-methyl-4-(methylthio)benzene, 1-methyl-4-methylsulfanyl-benzene, 4-methylthiotoluene, 4-methyl-thioanisol, 4-methyl-thioanisole, MFCD00008560, methyl(4-tolyl)sulfane, p-tolyl methyl sulphide, 4-(methylsulfanyl)toluene, p-Thiocresol, S-methyl-, SCHEMBL76792, SCHEMBL95311, SCHEMBL482749, Methyl p-tolyl sulfide, 99%, SCHEMBL9710924, SCHEMBL15352752, SCHEMBL16955103, VHILIAIEEYLJNA-UHFFFAOYSA-, NSC6256, NSC-6256, 1-Methyl-4-(methylsulfanyl)benzene #, AKOS006220695, FS-4204, AC-16445, DB-054128, CS-0313465, M0949, NS00035004, D91411, InChI=1/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3

Application

Benzene, 1-methyl-4-(methylthio)- is commonly employed as a precursor in the synthesis of pharmaceuticals and agrochemicals due to its reactive methylthio group. It serves as a key intermediate in the preparation of sulfoxide and sulfone derivatives, which are pivotal in medicinal chemistry. Researchers also utilize this compound in catalytic studies and as a ligand modifier in transition metal complexes. Its stability and aromatic properties make it suitable for material science applications, including polymer modification.

Safety and Hazards

GHS Hazard Statements

• H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (97.6%)

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