CAS 817172-39-7

(3-Methylphenyl)methyl N,N′-diphenylcarbamimidothioate

Description:

(3-Methylphenyl)methyl N,N′-diphenylcarbamimidothioate is a chemical compound characterized by its unique structure, which includes a carbamimidothioate functional group. This compound features a methyl group attached to a phenyl ring, contributing to its aromatic properties, while the diphenylcarbamimidothioate moiety indicates the presence of sulfur in the thioate group. The presence of multiple aromatic rings suggests potential for significant π-π interactions, which can influence its solubility and reactivity. This compound may exhibit biological activity, making it of interest in pharmaceutical and agrochemical research. Its specific interactions and applications would depend on its reactivity profile, which can be influenced by the steric and electronic effects of the substituents on the aromatic rings. Additionally, the compound's stability, solubility, and potential toxicity would need to be evaluated in the context of its intended use. As with many organic compounds, proper handling and safety measures are essential due to potential hazards associated with its chemical properties.

Formula: C₂₁H₂₀N₂S

InChI: InChI=1S/C21H20N2S/c1-17-9-8-10-18(15-17)16-24-21(22-19-11-4-2-5-12-19)23-20-13-6-3-7-14-20/h2-15H,16H2,1H3,(H,22,23)

InChI key: InChIKey=PAUTZCANSSQTJY-UHFFFAOYSA-N

SMILES: C(=NC1=CC=CC=C1)(NC2=CC=CC=C2)SCC3=CC(C)=CC=C3

Synonyms:

• (3-Methylphenyl)methyl N,N′-diphenylcarbamimidothioate
• Carbamimidothioic acid, N,N′-diphenyl-, (3-methylphenyl)methyl ester
• 2-(3-METHYL-BENZYL)-1,3-DIPHENYL-ISOTHIOUREA