Cas no 2262-07-9 (Benzene, [(2,2,2-trifluoroethyl)thio]-)

Benzene, [(2,2,2-trifluoroethyl)thio]-, is a fluorinated aromatic thioether characterized by the presence of a trifluoroethylthio (-SCF?CH?) substituent on a benzene ring. This compound exhibits unique physicochemical properties due to the combination of the electron-withdrawing trifluoroethyl group and the sulfur linkage, which enhances its stability and reactivity in specific chemical transformations. The trifluoroethyl moiety imparts increased lipophilicity and metabolic resistance, making it valuable in pharmaceutical and agrochemical applications. Its robust structure also lends itself to use as a building block in organofluorine chemistry, particularly in the synthesis of bioactive molecules or advanced materials. The compound's distinct electronic effects further enable selective functionalization in synthetic pathways.

Benzene, [(2,2,2-trifluoroethyl)thio]- structure

2262-07-9 structure

Product Name:Benzene, [(2,2,2-trifluoroethyl)thio]-

CAS No:2262-07-9

MF:C₈H₇F₃S

MW:192.201391458511

CID:1411123

PubChem ID:11469578

Update Time:2025-07-02

Benzene, [(2,2,2-trifluoroethyl)thio]- Chemical and Physical Properties

Names and Identifiers

- Benzene, [(2,2,2-trifluoroethyl)thio]-
- [(2,2,2-trifluoroethyl)sulfanyl]benzene
- DTXSID70466856
- 2,2,2-trifluoroethylsulfanylbenzene
- SCHEMBL779142
- 2262-07-9
- phenyl 2,2,2-trifluoroethyl sulfide
- [(2,2,2-trifluoroethyl)thio]-benzene
- 2,2,2-Trifluoroethyl phenyl sulfide
- RIDGXQZZOXMNLI-UHFFFAOYSA-N
- MDL： MFCD22055621
- Inchi： 1S/C8H7F3S/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key： RIDGXQZZOXMNLI-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)CC(F)(F)F

Computed Properties

Exact Mass: 192.02211
Monoisotopic Mass: 192.02205588g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Heavy Atom Count: 12
Rotatable Bond Count: 3
Complexity: 127
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, [(2,2,2-trifluoroethyl)thio]- Pricemore >>

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