CAS 1049739-08-3

Benzenamine, 2-[[(4-methylphenyl)methyl]thio]-, hydrochloride (1:1)

Description:

Benzenamine, 2-[[(4-methylphenyl)methyl]thio]-, hydrochloride (1:1), also known as a derivative of aniline, is characterized by its amine functional group and a thioether linkage. This compound features a benzene ring substituted with an amino group and a thioether moiety, which contributes to its chemical reactivity and potential applications in organic synthesis. The presence of the hydrochloride indicates that it is a salt formed with hydrochloric acid, enhancing its solubility in water and making it suitable for various chemical processes. Typically, such compounds exhibit moderate to high polarity due to the amino and thioether groups, influencing their interactions in biological systems and their utility in pharmaceuticals. The molecular structure allows for potential hydrogen bonding, which can affect its physical properties, such as melting point and boiling point. Additionally, the presence of the methyl group on the phenyl ring may influence the compound's steric and electronic properties, impacting its reactivity and interactions with other molecules. Overall, this compound's unique structure makes it of interest in both synthetic and medicinal chemistry.

Formula: C₁₄H₁₅NS·ClH

InChI: InChI=1S/C14H15NS.ClH/c1-11-6-8-12(9-7-11)10-16-14-5-3-2-4-13(14)15;/h2-9H,10,15H2,1H3;1H

InChI key: InChIKey=NRUJISIMGLYSTL-UHFFFAOYSA-N

SMILES: S(CC1=CC=C(C)C=C1)C2=C(N)C=CC=C2.Cl

Synonyms:

• Benzenamine, 2-[[(4-methylphenyl)methyl]thio]-, hydrochloride (1:1)