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CAS 128273-52-9

:

1-(isothiocyanatomethyl)-4-(trifluoromethoxy)benzene

Description:
1-(Isothiocyanatomethyl)-4-(trifluoromethoxy)benzene, with the CAS number 128273-52-9, is an organic compound characterized by the presence of both isothiocyanate and trifluoromethoxy functional groups. The isothiocyanate group (-N=C=S) is known for its reactivity, particularly in nucleophilic substitution reactions, and can serve as a precursor for various chemical transformations. The trifluoromethoxy group (-O-CF3) imparts unique electronic properties, enhancing the compound's lipophilicity and potentially influencing its biological activity. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals, due to the presence of both electron-withdrawing and reactive functional groups. Additionally, the trifluoromethoxy moiety can enhance metabolic stability and bioavailability. As with many isothiocyanates, it may also exhibit biological activity, including antimicrobial or anticancer properties, making it of interest in various fields of research.
Formula:C9H6F3NOS
InChI:InChI=1/C9H6F3NOS/c10-9(11,12)14-8-3-1-7(2-4-8)5-13-6-15/h1-4H,5H2
SMILES:c1cc(ccc1CN=C=S)OC(F)(F)F
Synonyms:
  • 4-(Isothiocyanatomethyl)phenyl trifluoromethyl ether
  • Benzene, 1-(isothiocyanatomethyl)-4-(trifluoromethoxy)-
  • 1-(Isothiocyanatomethyl)-4-(trifluoromethoxy)benzene
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