CAS 83508-62-7

N-Methyl-N-[3-(trifluoromethyl)phenyl]carbamothioic chloride

Description:

N-Methyl-N-[3-(trifluoromethyl)phenyl]carbamothioic chloride, with the CAS number 83508-62-7, is a chemical compound characterized by its unique structure that includes a methyl group, a trifluoromethyl-substituted phenyl group, and a carbamothioic chloride functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is known for its reactivity due to the presence of the thioic chloride moiety, which can participate in various nucleophilic substitution reactions. The trifluoromethyl group enhances the compound's lipophilicity and can influence its biological activity, making it of interest in pharmaceutical and agrochemical research. Additionally, the presence of chlorine in the structure may impart specific properties such as increased stability or altered solubility in organic solvents. Safety precautions are essential when handling this compound, as it may pose hazards typical of reactive chlorinated compounds, including potential toxicity and environmental concerns.

Formula: C₉H₇ClF₃NS

InChI: InChI=1S/C9H7ClF3NS/c1-14(8(10)15)7-4-2-3-6(5-7)9(11,12)13/h2-5H,1H3

InChI key: InChIKey=VOXCSWSUZAYCOQ-UHFFFAOYSA-N

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

Synonyms:

• Carbamothioic chloride, N-methyl-N-[3-(trifluoromethyl)phenyl]-
• Carbamothioic chloride, methyl[3-(trifluoromethyl)phenyl]-
• N-Methyl-N-[3-(trifluoromethyl)phenyl]carbamothioic chloride