Cas no 788-12-5 (Benzene, 1-[(4-methylphenyl)thio]-3-(trifluoromethyl)-)
![Benzene, 1-[(4-methylphenyl)thio]-3-(trifluoromethyl)- structure](https://ossimg.kuujia.com/scimg/1000/788-12-5x500.png)
788-12-5 structure
Product Name:Benzene, 1-[(4-methylphenyl)thio]-3-(trifluoromethyl)-
CAS No:788-12-5
MF:C14H11F3S
MW:268.297353029251
CID:533843
PubChem ID:71402987
Update Time:2025-04-19
Benzene, 1-[(4-methylphenyl)thio]-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-[(4-methylphenyl)thio]-3-(trifluoromethyl)-
- 1-methyl-4-[3-(trifluoromethyl)phenyl]sulfanylbenzene
- 788-12-5
- DTXSID90823927
- 1-[(4-Methylphenyl)sulfanyl]-3-(trifluoromethyl)benzene
-
- Inchi： 1S/C14H11F3S/c1-10-5-7-12(8-6-10)18-13-4-2-3-11(9-13)14(15,16)17/h2-9H,1H3
- InChI Key： CQMJEAHSONWQMD-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)C1=CC=CC(C(F)(F)F)=C1
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: 256
- 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: 5.2
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
Benzene, 1-[(4-methylphenyl)thio]-3-(trifluoromethyl)- Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
788-12-5 (Benzene, 1-[(4-methylphenyl)thio]-3-(trifluoromethyl)-) Related Products
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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