Cas no 63647-62-1 (Benzene, 1-[(trifluoromethyl)sulfonyl]-4-[(trifluoromethyl)thio]-)
![Benzene, 1-[(trifluoromethyl)sulfonyl]-4-[(trifluoromethyl)thio]- structure](https://ossimg.kuujia.com/scimg/64000/63647-62-1x500.png)
63647-62-1 structure
Product Name:Benzene, 1-[(trifluoromethyl)sulfonyl]-4-[(trifluoromethyl)thio]-
CAS No:63647-62-1
MF:C8H4F6O2S2
MW:310.236580848694
CID:1654891
PubChem ID:21732966
Update Time:2025-04-21
Benzene, 1-[(trifluoromethyl)sulfonyl]-4-[(trifluoromethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-[(trifluoromethyl)sulfonyl]-4-[(trifluoromethyl)thio]-
- 1-(trifluoromethylsulfanyl)-4-(trifluoromethylsulfonyl)benzene
- DTXSID90617621
- 1-(Trifluoromethanesulfonyl)-4-[(trifluoromethyl)sulfanyl]benzene
- 1-trifluoromethylsulfonyl-4-(trifluoromethylthio)benzene
- 63647-62-1
-
- Inchi： 1S/C8H4F6O2S2/c9-7(10,11)17-5-1-3-6(4-2-5)18(15,16)8(12,13)14/h1-4H
- InChI Key： BTSJMLARCVQXEK-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)(C1C=CC(=CC=1)SC(F)(F)F)(=O)=O
Computed Properties
- Exact Mass: 309.95572
- Monoisotopic Mass: 309.95569069g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 372
- 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: 4.4
- Topological Polar Surface Area: 67.8?2
Experimental Properties
- PSA: 34.14
Benzene, 1-[(trifluoromethyl)sulfonyl]-4-[(trifluoromethyl)thio]- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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