CAS 866049-29-8

N-[2-Methyl-5-(trifluoromethyl)phenyl]thiourea

Description:

N-[2-Methyl-5-(trifluoromethyl)phenyl]thiourea is an organic compound characterized by the presence of a thiourea functional group, which consists of a carbon atom double-bonded to sulfur and single-bonded to nitrogen atoms. This compound features a phenyl ring substituted with a methyl group and a trifluoromethyl group, which significantly influences its chemical properties and reactivity. The trifluoromethyl group is known for imparting unique electronic characteristics, enhancing lipophilicity, and affecting the compound's biological activity. The presence of the thiourea moiety suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its ability to form hydrogen bonds and interact with biological targets. Additionally, the compound may exhibit interesting physical properties, such as solubility in organic solvents and stability under various conditions. Overall, N-[2-Methyl-5-(trifluoromethyl)phenyl]thiourea represents a versatile structure with potential applications in various fields, including agrochemicals and materials science.

Formula: C₉H₉F₃N₂S

InChI: InChI=1S/C9H9F3N2S/c1-5-2-3-6(9(10,11)12)4-7(5)14-8(13)15/h2-4H,1H3,(H3,13,14,15)

InChI key: InChIKey=WQXASGSEQGSJNH-UHFFFAOYSA-N

SMILES: N(C(N)=S)C1=CC(C(F)(F)F)=CC=C1C

Synonyms:

• Thiourea, N-[2-methyl-5-(trifluoromethyl)phenyl]-
• N-[2-Methyl-5-(trifluoromethyl)phenyl]thiourea
• Thiourea, [2-methyl-5-(trifluoromethyl)phenyl]-