Cas no 649721-47-1 (Benzene, 1-[(1,1-dimethylethyl)sulfonyl]-3-(trifluoromethyl)-)
![Benzene, 1-[(1,1-dimethylethyl)sulfonyl]-3-(trifluoromethyl)- structure](https://ossimg.kuujia.com/scimg/650000/649721-47-1x500.png)
649721-47-1 structure
Product Name:Benzene, 1-[(1,1-dimethylethyl)sulfonyl]-3-(trifluoromethyl)-
CAS No:649721-47-1
MF:C11H13F3O2S
MW:266.27993273735
CID:410813
PubChem ID:57592459
Update Time:2025-04-19
Benzene, 1-[(1,1-dimethylethyl)sulfonyl]-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-[(1,1-dimethylethyl)sulfonyl]-3-(trifluoromethyl)-
- 1-tert-butylsulfonyl-3-(trifluoromethyl)benzene
- SCHEMBL1498512
- DIYRVYGVTTXLAH-UHFFFAOYSA-N
- DTXSID30727238
- VIQKUBHJDHQBRH-UHFFFAOYSA-N
- 1-(2-Methylpropane-2-sulfonyl)-3-(trifluoromethyl)benzene
- 649721-47-1
-
- Inchi： 1S/C11H13F3O2S/c1-10(2,3)17(15,16)9-6-4-5-8(7-9)11(12,13)14/h4-7H,1-3H3
- InChI Key： VIQKUBHJDHQBRH-UHFFFAOYSA-N
- SMILES： S(C1C=CC=C(C(F)(F)F)C=1)(C(C)(C)C)(=O)=O
Computed Properties
- Exact Mass: 266.05889
- Monoisotopic Mass: 266.05883531g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 360
- 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: 3
- Topological Polar Surface Area: 42.5?2
Experimental Properties
- PSA: 34.14
Benzene, 1-[(1,1-dimethylethyl)sulfonyl]-3-(trifluoromethyl)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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