CAS 956576-70-8

1,2,3,4-Tetrahydro-2-[(4-isothiocyanatophenyl)sulfonyl]isoquinoline

Description:

1,2,3,4-Tetrahydro-2-[(4-isothiocyanatophenyl)sulfonyl]isoquinoline is a chemical compound characterized by its isoquinoline core structure, which is a bicyclic compound containing a fused benzene and pyridine ring. The presence of a tetrahydro group indicates that the isoquinoline is partially saturated, contributing to its unique reactivity and stability. The compound features a sulfonyl group attached to a phenyl ring that carries an isothiocyanate functional group, which is known for its reactivity, particularly in nucleophilic substitution reactions. Isothiocyanates are often associated with biological activity, including potential anticancer properties. The sulfonyl moiety enhances the compound's solubility and may influence its pharmacokinetic properties. Overall, this compound's structure suggests potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents. Its specific interactions and biological activities would require further investigation through experimental studies to fully elucidate its potential uses.

Formula: C₁₆H₁₄N₂O₂S₂

InChI: InChI=1S/C16H14N2O2S2/c19-22(20,16-7-5-15(6-8-16)17-12-21)18-10-9-13-3-1-2-4-14(13)11-18/h1-8H,9-11H2

InChI key: InChIKey=FBMNUNRKHMOXIA-UHFFFAOYSA-N

SMILES: S(=O)(=O)(N1CC=2C(CC1)=CC=CC2)C3=CC=C(N=C=S)C=C3

Synonyms:

• 1,2,3,4-Tetrahydro-2-[(4-isothiocyanatophenyl)sulfonyl]isoquinoline
• Isoquinoline, 1,2,3,4-tetrahydro-2-[(4-isothiocyanatophenyl)sulfonyl]-