CAS 110888-22-7

4-Mercapto-2-(trifluoromethyl)benzonitrile

Description:

4-Mercapto-2-(trifluoromethyl)benzonitrile is an organic compound characterized by the presence of a thiol group (-SH) and a trifluoromethyl group (-CF3) attached to a benzene ring that also contains a nitrile group (-C≡N). This compound features a benzene core, which contributes to its aromatic stability, while the trifluoromethyl group enhances its lipophilicity and can influence its reactivity and interaction with biological systems. The thiol group imparts nucleophilic properties, making it reactive in various chemical reactions, including those involving electrophiles. The nitrile group adds to the compound's polarity and can participate in hydrogen bonding, affecting its solubility in different solvents. Overall, 4-Mercapto-2-(trifluoromethyl)benzonitrile is of interest in synthetic organic chemistry and materials science, particularly for its potential applications in pharmaceuticals, agrochemicals, and as a building block in the synthesis of more complex molecules. Its unique combination of functional groups allows for diverse reactivity and potential utility in various chemical contexts.

Formula: C₈H₄F₃NS

InChI: InChI=1S/C8H4F3NS/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3,13H

InChI key: InChIKey=IWZHVFBVXGOFHM-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 4-mercapto-2-(trifluoromethyl)-
• 2-Trifluoromethyl-4-mercaptobenzonitrile
• 4-Mercapto-2-(trifluoromethyl)benzonitrile

4-Sulfanyl-2-(trifluoromethyl)benzonitrile

CAS: 110888-22-7

Versatile small molecule scaffold

Formula: C₈H₄F₃NS

Purity: Min. 95%

Molecular weight: 203.19 g/mol

Ref: 3D-KEA88822