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Atomfair Methylphenylsulfide Thioanisole C7H8S CAS 100-68-5

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…

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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%)

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.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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