Cas no 117530-19-5 (1,1'-Biphenyl, 4-(methylthio)-4'-(trifluoromethyl)-)
1,1'-Biphenyl, 4-(methylthio)-4'-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
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- 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 >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A011010917-250mg |
4'-Methylsulfanyl-4-(trifluoromethyl)biphenyl |
117530-19-5 | 97% | 250mg |
$494.40 | 2023-09-04 | |
| Alichem | A011010917-500mg |
4'-Methylsulfanyl-4-(trifluoromethyl)biphenyl |
117530-19-5 | 97% | 500mg |
$798.70 | 2023-09-04 | |
| Alichem | A011010917-1g |
4'-Methylsulfanyl-4-(trifluoromethyl)biphenyl |
117530-19-5 | 97% | 1g |
$1579.40 | 2023-09-04 |
1,1'-Biphenyl, 4-(methylthio)-4'-(trifluoromethyl)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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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