CAS 21101-66-6

α-Methyl-4-[(trifluoromethyl)thio]benzenemethanol

Description:

α-Methyl-4-[(trifluoromethyl)thio]benzenemethanol, with the CAS number 21101-66-6, is an organic compound characterized by its unique functional groups and structural features. It contains a benzene ring substituted with a methyl group and a trifluoromethylthio group, which significantly influences its chemical properties. The presence of the trifluoromethyl group imparts notable electronegativity and lipophilicity, affecting the compound's reactivity and interaction with biological systems. The hydroxyl (-OH) group in the benzenemethanol structure contributes to its potential as a hydrogen bond donor, enhancing solubility in polar solvents. This compound may exhibit interesting pharmacological properties due to its structural characteristics, making it a subject of interest in medicinal chemistry. Additionally, the trifluoromethylthio moiety can enhance metabolic stability and alter the compound's biological activity. Overall, α-Methyl-4-[(trifluoromethyl)thio]benzenemethanol is a complex molecule with potential applications in various fields, including pharmaceuticals and agrochemicals.

Formula: C₉H₉F₃OS

InChI: InChI=1S/C9H9F3OS/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-6,13H,1H3

InChI key: InChIKey=HSJRMALTSZKPOV-UHFFFAOYSA-N

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

Synonyms:

• Benzenemethanol, α-methyl-4-[(trifluoromethyl)thio]-
• α-Methyl-4-[(trifluoromethyl)thio]benzenemethanol
• 1-(4-Trifluoromethylthiophenyl)ethanol
• Benzyl alcohol, α-methyl-p-[(trifluoromethyl)thio]-

1-{4-[(Trifluoromethyl)sulfanyl]phenyl}ethan-1-ol

CAS: 21101-66-6

Versatile small molecule scaffold

Formula: C₉H₉F₃OS

Purity: Min. 95%

Molecular weight: 222.23 g/mol

Ref: 3D-WAA10166