Cas no 62158-92-3 (Benzene, 1-methyl-4-[(2,2,2-trifluoroethyl)thio]-)
![Benzene, 1-methyl-4-[(2,2,2-trifluoroethyl)thio]- structure](https://ossimg.kuujia.com/scimg/62500/62158-92-3x500.png)
62158-92-3 structure
Product Name:Benzene, 1-methyl-4-[(2,2,2-trifluoroethyl)thio]-
CAS No:62158-92-3
MF:C9H9F3S
MW:206.227971792221
CID:456011
PubChem ID:10703466
Update Time:2025-04-19
Benzene, 1-methyl-4-[(2,2,2-trifluoroethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-methyl-4-[(2,2,2-trifluoroethyl)thio]-
- 1-methyl-4-(2,2,2-trifluoroethylsulfanyl)benzene
- XWMDDMWNRFIRAS-UHFFFAOYSA-N
- DTXSID70443728
- SCHEMBL8021260
- 62158-92-3
-
- Inchi： 1S/C9H9F3S/c1-7-2-4-8(5-3-7)13-6-9(10,11)12/h2-5H,6H2,1H3
- InChI Key： XWMDDMWNRFIRAS-UHFFFAOYSA-N
- SMILES： S(CC(F)(F)F)C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 206.03777
- Monoisotopic Mass: 206.03770595g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 147
- 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: 3.9
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
Benzene, 1-methyl-4-[(2,2,2-trifluoroethyl)thio]- Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
62158-92-3 (Benzene, 1-methyl-4-[(2,2,2-trifluoroethyl)thio]-) Related Products
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