CAS 691868-49-2

3,5-Bis(trifluoromethyl)benzeneethanethioamide

Description:

3,5-Bis(trifluoromethyl)benzeneethanethioamide, identified by its CAS number 691868-49-2, is a chemical compound characterized by the presence of a benzene ring substituted with two trifluoromethyl groups at the 3 and 5 positions, along with an ethanethioamide functional group. This structure imparts unique properties, including increased lipophilicity and potential biological activity due to the electron-withdrawing nature of the trifluoromethyl groups. The compound is likely to exhibit significant thermal stability and may participate in various chemical reactions typical of thioamides, such as nucleophilic substitutions or condensation reactions. Its fluorinated nature may also enhance its solubility in organic solvents while making it less polar. Due to these characteristics, 3,5-Bis(trifluoromethyl)benzeneethanethioamide may find applications in pharmaceuticals, agrochemicals, or materials science, although specific applications would depend on further research into its reactivity and biological properties. Safety data and handling precautions should be considered, as with any chemical compound, particularly those containing fluorinated groups.

Formula: C₁₀H₇F₆NS

InChI: InChI=1S/C10H7F6NS/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16/h1-2,4H,3H2,(H2,17,18)

InChI key: InChIKey=BBRJGUROVZDJPY-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=CC(C(F)(F)F)=CC(CC(N)=S)=C1

Synonyms:

• 2-[3,5-Bis(Trifluoromethyl)Phenyl]Ethanethioamide
• 3,5-Bis(trifluoromethyl)benzeneethanethioamide
• Benzeneethanethioamide, 3,5-Bis(Trifluoromethyl)-

2-[3,5-bis(Trifluoromethyl)phenyl]ethanethioamide

CAS: 691868-49-2

Formula: C₁₀H₇F₆NS

Molecular weight: 287.2247

Ref: IN-DA003G8Z

2-(3,5-Bis-trifluoromethyl-phenyl)-thioacetamide

CAS: 691868-49-2

Formula: C₁₀H₇F₆NS

Purity: 95.0%

Molecular weight: 287.22

Ref: 10-F316647