Description

Methylphenylsulfide (Thioanisole) is a high-purity organosulfur compound with the molecular formula C₇H₈S and CAS number 100-68-5. This colorless to pale yellow liquid is widely utilized in organic synthesis, pharmaceuticals, and material science due to its role as a versatile building block. With a boiling point of approximately 188°C and a distinct aromatic odor, Methylphenylsulfide is soluble in organic solvents such as ethanol, ether, and acetone but insoluble in water. Its IUPAC name, methylsulfanylbenzene, reflects its structure—a benzene ring substituted with a methylthio group. Ideal for researchers and industrial applications, our product is rigorously tested to ensure ≥98% purity (GC) and is supplied in sealed containers to maintain stability. Synonyms include Thioanisole, Methyl phenyl sulfide, and Benzene, (methylthio)-.

Properties

• CAS Number: 100-68-5
• Complexity: 55.4
• IUPAC Name: methylsulfanylbenzene
• InChI: InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
• InChI Key: HNKJADCVZUBCPG-UHFFFAOYSA-N
• LogP: 2.74
• Exact Mass: 124.03467143
• Molecular Formula: C7H8S
• Molecular Weight: 124.21
• SMILES: CSC1=CC=CC=C1
• Topological: 25.3
• Monoisotopic Mass: 124.03467143
• Physical Description: Colorless liquid with a stench;
• Boiling Point: 188.00 to 193.00 °C. @ 760.00 mm Hg
• Melting Point: -15 °C
• Solubility: 0.506 mg/mL at 25 °C
• Density: 0.958-0.968
• Refractive Index: 1.532-1.551
• Synonyms: Thioanisole, 100-68-5, Methyl phenyl sulfide, Benzene, (methylthio)-, Thioanisol, (Methylthio)benzene, Phenylthiomethane, (Methylsulfanyl)benzene, Phenyl methyl sulfide, METHYLPHENYLSULFIDE, (1-Thiaethyl)benzene, Anisole, thio-, Methyl phenyl sulphide, Methyl phenyl thioether, Methyl phenylsulfide, Methylthiobenzene, methylsulfanyl-benzene, NSC 57916, EINECS 202-878-2, BB4K737YF4, AI3-26832, Sulfide, methyl phenyl (6CI,8CI), NSC-57916, DTXSID8059217, FEMA NO. 3873, CHEBI:134281, EC 202-878-2, METHYL PHENYL SULFIDE [FHFI], Anisole, thio, benzene, (methylthio), DTXCID9032458, inchi=1/c7h8s/c1-8-7-5-3-2-4-6-7/h2-6h,1h, methylsulfanylbenzene, 1-Phenyl-1-thiaethane, Sulfide, methyl phenyl, MFCD00008559, Thioanisole, ReagentPlus(R), >=99%, methylphenyl sulfide, thioanisoie, UNII-BB4K737YF4, thio-anisole, FEMA 3873, phenylmethylsulfide, 16R, Methylmercaptobenzene, (methylthio)-benzene, methyl(phenyl)sulfide, methyl-phenyl-sulphide, (Methylsulfanyl)benzene #, (Methylthio)benzene, 9CI, Methyl phenyl sulfide; MPS, SCHEMBL7584, WLN: 1SR, SCHEMBL29256, SCHEMBL76856, SCHEMBL97062, SCHEMBL97740, CHEMBL192899, SCHEMBL4450634, SCHEMBL4683068, SCHEMBL4902407, SCHEMBL9189179, Thioanisole, analytical standard, Methyl phenyl sulfide, >=99%, NSC57916, STR03277, AKOS000121371, BP-30149, CS-0015372, NS00002537, T0191, Thioanisole, Vetec(TM) reagent grade, 98%, EN300-15497, D72508, Q9087778, F0001-0023

Application

Methylphenylsulfide is a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and fragrances. It serves as a precursor for sulfoxide and sulfone derivatives, which are critical in asymmetric synthesis and catalysis. Researchers also employ it as a ligand in transition-metal complexes and as a sulfur source in organic transformations. Its stability and reactivity make it valuable in the development of novel materials and fine chemicals.

Safety and Hazards

GHS Hazard Statements

• H226: Flammable liquid and vapor [Warning Flammable liquids]
• H302: Harmful if swallowed [Warning Acute toxicity, oral]
• H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
• H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P303+P361+P353, P330, P370+P378, P391, P403+P235, and P501

Hazard Classes and Categories

• Acute Tox. 4 (98.8%)
• Skin Irrit. 2 (89.5%)
• Skin Sens. 1B (66.1%)
• Eye Irrit. 2 (89.5%)
• STOT SE 3 (22.8%)
• Aquatic Chronic 2 (66.1%)

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