Cas no 3541-14-8 (S-Phenyl 4-methylbenzenesulfonothioate)

S-Phenyl 4-methylbenzenesulfonothioate structure
3541-14-8 structure
Product Name:S-Phenyl 4-methylbenzenesulfonothioate
CAS No:3541-14-8
MF:C13H12O2S2
MW:264.363181114197
MDL:MFCD00032259
CID:319713
PubChem ID:241848
Update Time:2025-11-01

S-Phenyl 4-methylbenzenesulfonothioate Chemical and Physical Properties

Names and Identifiers

    • Benzenesulfonothioicacid, 4-methyl-, S-phenyl ester
    • 1-methyl-4-phenylsulfanylsulfonylbenzene
    • AC1L688W
    • AC1Q2LR6
    • AC1Q6YEA
    • AR-1L6978
    • NSC49724
    • phenyl 4'-toluenethiosulphonate
    • phenyl p-toluenethiolsulfonate
    • phenyl p-toluenethiosulfonate
    • phenyl toluene-4-thiosulfonate
    • S-phenyl 4-methylbenzenesulfonothioate
    • S-phenyl p-toluenethiosulfonate
    • Toluene-4-thiosulfonic acid, S-phenyl ester
    • (Phenylthio)(4-methylphenyl) sulfone
    • 1-methyl-4-phenylsulfanylsulfonyl-benzene
    • AK212215
    • Benzenesulfonothioic acid, 4-methyl-, S-phenyl ester
    • 1-methyl-4-[(phenylsulfanyl)sulfonyl]benzene
    • AKOS024337841
    • DS-10494
    • W17285
    • S-phenyl4-methylbenzenesulfonothioate
    • MFCD00032259
    • NSC-49724
    • DTXSID30287221
    • 3541-14-8
    • CS-0059968
    • SCHEMBL10330809
    • DB-159856
    • PAIRPKMSBFJAQB-UHFFFAOYSA-N
    • S-Phenyl 4-methylbenzenesulfonothioate
    • MDL: MFCD00032259
    • Inchi: 1S/C13H12O2S2/c1-11-7-9-13(10-8-11)17(14,15)16-12-5-3-2-4-6-12/h2-10H,1H3
    • InChI Key: PAIRPKMSBFJAQB-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(C)=CC=1)(=O)(=O)SC1C=CC=CC=1

Computed Properties

  • Exact Mass: 264.02796
  • Monoisotopic Mass: 264.02787197g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 318
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 67.8
  • XLogP3: 3.5

Experimental Properties

  • PSA: 34.14
  • LogP: 4.55680

S-Phenyl 4-methylbenzenesulfonothioate Pricemore >>

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Additional information on S-Phenyl 4-methylbenzenesulfonothioate

Comprehensive Guide to S-Phenyl 4-methylbenzenesulfonothioate (CAS No. 3541-14-8): Properties, Applications, and Market Insights

S-Phenyl 4-methylbenzenesulfonothioate (CAS No. 3541-14-8) is a specialized organosulfur compound that has garnered significant attention in recent years due to its unique chemical properties and versatile applications. As researchers and industries increasingly focus on sustainable chemistry and green synthesis, compounds like S-Phenyl 4-methylbenzenesulfonothioate are being explored for their potential in various fields, including pharmaceutical intermediates, agrochemicals, and material science.

The molecular structure of S-Phenyl 4-methylbenzenesulfonothioate features a sulfonothioate functional group, which contributes to its distinctive reactivity. This compound is particularly valued for its role as a sulfur transfer agent in organic synthesis. Recent studies have highlighted its utility in catalytic processes, where it serves as an efficient precursor for introducing sulfur-containing moieties into target molecules. With the growing demand for sulfur-functionalized compounds in drug discovery and material engineering, S-Phenyl 4-methylbenzenesulfonothioate has become a subject of intense research.

One of the most frequently asked questions about S-Phenyl 4-methylbenzenesulfonothioate relates to its synthesis methods. The compound can be prepared through the reaction of 4-methylbenzenesulfonyl chloride with thiophenol in the presence of a base. This process has been optimized in recent years to improve yield and purity, making it more accessible for industrial applications. Researchers are particularly interested in developing environmentally friendly synthesis routes that minimize waste and energy consumption, aligning with the principles of green chemistry.

In the pharmaceutical industry, S-Phenyl 4-methylbenzenesulfonothioate has shown promise as a building block for various bioactive molecules. Its ability to participate in cross-coupling reactions makes it valuable for creating complex molecular architectures. Recent publications have explored its use in developing antimicrobial agents and enzyme inhibitors, addressing the global need for novel therapeutic compounds. The compound's stability and reactivity profile make it particularly suitable for medicinal chemistry applications.

The agrochemical sector has also recognized the potential of S-Phenyl 4-methylbenzenesulfonothioate as a precursor for crop protection agents. With increasing concerns about food security and sustainable agriculture, researchers are investigating sulfur-containing compounds for their potential in developing new pesticides and herbicides. The unique properties of S-Phenyl 4-methylbenzenesulfonothioate may contribute to more effective and environmentally benign crop protection solutions.

Material science represents another exciting frontier for S-Phenyl 4-methylbenzenesulfonothioate applications. The compound's ability to form stable sulfur-carbon bonds makes it interesting for developing advanced polymeric materials and surface modifiers. Recent studies have explored its use in creating self-assembled monolayers and functional coatings, which have applications in electronics, corrosion protection, and nanotechnology.

From a market perspective, the demand for S-Phenyl 4-methylbenzenesulfonothioate has been steadily increasing. Market analysts attribute this growth to the expanding pharmaceutical industry and the rising interest in specialty chemicals. The compound's CAS number 3541-14-8 has become a frequently searched identifier in chemical databases, reflecting its growing importance in research and industrial applications. Manufacturers are responding to this demand by scaling up production while maintaining strict quality control standards.

Safety and handling considerations for S-Phenyl 4-methylbenzenesulfonothioate are important topics frequently searched by laboratory professionals. While the compound is valuable for research purposes, proper personal protective equipment and ventilation systems should be employed when working with it. Researchers emphasize the importance of understanding its material safety data sheet (MSDS) and following established laboratory safety protocols.

The future outlook for S-Phenyl 4-methylbenzenesulfonothioate appears promising, with ongoing research exploring novel applications and improved synthetic methods. As the scientific community continues to investigate sulfur chemistry, compounds like S-Phenyl 4-methylbenzenesulfonothioate will likely play increasingly important roles in developing innovative solutions across multiple industries. Its combination of structural versatility and chemical reactivity ensures that it will remain a valuable tool for researchers and industrial chemists alike.

For those seeking more technical information about S-Phenyl 4-methylbenzenesulfonothioate (CAS 3541-14-8), numerous scientific publications and patent documents are available that detail its synthesis, characterization, and applications. The compound's growing presence in chemical databases and research literature underscores its significance in contemporary chemistry. As innovation in organic synthesis and material design continues to advance, S-Phenyl 4-methylbenzenesulfonothioate is poised to contribute to important scientific and technological breakthroughs in the coming years.

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