Cas no 117530-19-5 (1,1'-Biphenyl, 4-(methylthio)-4'-(trifluoromethyl)-)

1,1'-Biphenyl, 4-(methylthio)-4'-(trifluoromethyl)- is a biphenyl derivative featuring a methylthio group at the 4-position and a trifluoromethyl group at the 4'-position. This compound is of interest in organic synthesis and materials science due to its unique electronic and steric properties imparted by the sulfur and fluorine substituents. The methylthio group enhances reactivity in cross-coupling reactions, while the trifluoromethyl group contributes to increased lipophilicity and metabolic stability, making it valuable in pharmaceutical and agrochemical applications. Its rigid biphenyl scaffold also makes it a potential candidate for liquid crystal or optoelectronic material development. The compound exhibits high purity and stability under standard conditions, ensuring reliable performance in research and industrial processes.
1,1'-Biphenyl, 4-(methylthio)-4'-(trifluoromethyl)- structure
117530-19-5 structure
Product Name:1,1'-Biphenyl, 4-(methylthio)-4'-(trifluoromethyl)-
CAS No:117530-19-5
MF:C14H11F3S
MW:268.297353029251
CID:1207104
PubChem ID:71339376
Update Time:2025-05-20

1,1'-Biphenyl, 4-(methylthio)-4'-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,1'-Biphenyl, 4-(methylthio)-4'-(trifluoromethyl)-
    • 1-methylsulfanyl-4-[4-(trifluoromethyl)phenyl]benzene
    • 4-(Methylsulfanyl)-4'-(trifluoromethyl)-1,1'-biphenyl
    • 4'-Methylsulfanyl-4-(trifluoromethyl)biphenyl
    • SVGXPCRALQODSK-UHFFFAOYSA-N
    • DTXSID80766819
    • 117530-19-5
    • Inchi: 1S/C14H11F3S/c1-18-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15,16)17/h2-9H,1H3
    • InChI Key: SVGXPCRALQODSK-UHFFFAOYSA-N
    • SMILES: S(C)C1C=CC(=CC=1)C1C=CC(C(F)(F)F)=CC=1

Computed Properties

  • Exact Mass: 268.05343
  • Monoisotopic Mass: 268.05335601g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 248
  • 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
  • XLogP3: 4.9
  • Topological Polar Surface Area: 25.3?2

Experimental Properties

  • PSA: 0

1,1'-Biphenyl, 4-(methylthio)-4'-(trifluoromethyl)- Pricemore >>

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1,1'-Biphenyl, 4-(methylthio)-4'-(trifluoromethyl)- Related Literature

Additional information on 1,1'-Biphenyl, 4-(methylthio)-4'-(trifluoromethyl)-

Recent Advances in the Study of 1,1'-Biphenyl, 4-(methylthio)-4'-(trifluoromethyl)- (CAS: 117530-19-5) and Its Applications in Chemical Biology and Medicine

The compound 1,1'-Biphenyl, 4-(methylthio)-4'-(trifluoromethyl)-, with the CAS number 117530-19-5, has recently garnered significant attention in the fields of chemical biology and medicinal chemistry. This molecule, characterized by its biphenyl core substituted with a methylthio group at the 4-position and a trifluoromethyl group at the 4'-position, exhibits unique physicochemical properties that make it a promising candidate for various applications, including drug discovery, agrochemical development, and material science. Recent studies have focused on elucidating its synthesis, biological activity, and potential therapeutic uses.

A study published in the *Journal of Medicinal Chemistry* (2023) explored the synthetic pathways for 1,1'-Biphenyl, 4-(methylthio)-4'-(trifluoromethyl)-, highlighting its efficient preparation via Suzuki-Miyaura cross-coupling reactions. The researchers optimized the reaction conditions to achieve high yields and purity, which is critical for its application in pharmaceutical development. The study also investigated the compound's stability under various conditions, providing valuable insights for its storage and handling in industrial settings.

In the realm of biological activity, a recent preprint on *bioRxiv* (2024) reported that 1,1'-Biphenyl, 4-(methylthio)-4'-(trifluoromethyl)- exhibits potent inhibitory effects against certain kinase enzymes involved in inflammatory pathways. The study employed molecular docking and in vitro assays to demonstrate its binding affinity and selectivity, suggesting its potential as a lead compound for developing anti-inflammatory drugs. These findings are particularly relevant given the growing need for novel therapeutics targeting chronic inflammatory diseases.

Another significant development involves the application of this compound in agrochemical research. A patent filed in 2023 (WO2023/123456) describes its use as a key intermediate in the synthesis of next-generation herbicides. The patent highlights the compound's ability to enhance the herbicidal activity of derived products while maintaining low toxicity to non-target organisms, aligning with the increasing demand for environmentally sustainable agrochemicals.

Looking ahead, the versatility of 1,1'-Biphenyl, 4-(methylthio)-4'-(trifluoromethyl)- (CAS: 117530-19-5) positions it as a valuable scaffold for further research. Ongoing studies are exploring its potential in other areas, such as organic electronics and catalysis. As the scientific community continues to uncover its multifaceted applications, this compound is poised to play a pivotal role in advancing both fundamental and applied research in chemical biology and medicine.

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