CAS 1192815-05-6

3-Isothiocyanato-6,8-dimethylisoquinoline

Description:

3-Isothiocyanato-6,8-dimethylisoquinoline is a chemical compound characterized by its isoquinoline backbone, which is a bicyclic structure containing a benzene ring fused to a pyridine ring. The presence of the isothiocyanate functional group (-N=C=S) is significant, as it imparts unique reactivity and biological properties, often associated with compounds that exhibit anticancer and antimicrobial activities. The dimethyl substitutions at the 6 and 8 positions of the isoquinoline ring influence the compound's steric and electronic properties, potentially affecting its solubility and interaction with biological targets. This compound may be of interest in medicinal chemistry and organic synthesis due to its potential applications in drug development and as a building block for more complex molecules. Additionally, the isothiocyanate group is known for its ability to form thiourea derivatives, which can further expand its utility in various chemical reactions. Overall, 3-Isothiocyanato-6,8-dimethylisoquinoline represents a versatile structure with promising implications in both research and application.

Formula: C₁₂H₁₀N₂S

InChI: InChI=1S/C12H10N2S/c1-8-3-9(2)11-6-13-12(14-7-15)5-10(11)4-8/h3-6H,1-2H3

InChI key: InChIKey=WSGPQEKGIAKLME-UHFFFAOYSA-N

SMILES: CC=1C2=C(C=C(N=C=S)N=C2)C=C(C)C1

Synonyms:

• 3-Isothiocyanato-6,8-dimethylisoquinoline
• Isoquinoline, 3-isothiocyanato-6,8-dimethyl-