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CAS 1415564-70-3

:

N-[3-Cyano-4-(trifluoromethyl)phenyl]-N′-[4-cyano-3-(trifluoromethyl)phenyl]thiourea

Description:
N-[3-Cyano-4-(trifluoromethyl)phenyl]-N′-[4-cyano-3-(trifluoromethyl)phenyl]thiourea is a synthetic organic compound characterized by its thiourea functional group, which is known for its diverse applications in pharmaceuticals and agrochemicals. This compound features two cyano groups and two trifluoromethyl groups attached to phenyl rings, contributing to its unique electronic properties and potential reactivity. The presence of trifluoromethyl groups typically enhances lipophilicity and metabolic stability, making such compounds of interest in drug design. The cyano groups can participate in various chemical reactions, including nucleophilic additions and cycloadditions, which may be exploited in synthetic pathways. Additionally, the compound's structure suggests potential applications in materials science, particularly in the development of novel polymers or as intermediates in organic synthesis. Its specific physical properties, such as solubility, melting point, and stability, would depend on the conditions under which it is handled and stored. As with many thiourea derivatives, it is essential to consider safety and toxicity profiles when working with this compound.
Formula:C17H8F6N4S
InChI:InChI=1S/C17H8F6N4S/c18-16(19,20)13-4-3-11(5-10(13)8-25)26-15(28)27-12-2-1-9(7-24)14(6-12)17(21,22)23/h1-6H,(H2,26,27,28)
InChI key:InChIKey=WYVFCWJDXATHDB-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(C#N)C=C(NC(NC2=CC(C(F)(F)F)=C(C#N)C=C2)=S)C=C1
Synonyms:
  • Thiourea, N-[3-cyano-4-(trifluoromethyl)phenyl]-N′-[4-cyano-3-(trifluoromethyl)phenyl]-
  • N-[3-Cyano-4-(trifluoromethyl)phenyl]-N′-[4-cyano-3-(trifluoromethyl)phenyl]thiourea
  • 1-(4-cyano-3-(trifluoroMethyl)phenyl)-3-(3-cyano-4-(trifluoroMethyl)phenyl)thiourea
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