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CAS 325850-81-5

:

2-[[3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid

Description:
2-[[3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid, with the CAS number 325850-81-5, is a chemical compound characterized by its complex structure, which includes a benzothioic acid moiety linked to a propyl group that is further connected to a benz[de]isoquinoline derivative featuring a dioxo functional group. This compound exhibits properties typical of both thioesters and carboxylic acids, which may influence its reactivity and solubility. The presence of the dioxo group suggests potential for hydrogen bonding and reactivity in various chemical environments. Additionally, the isoquinoline structure may impart biological activity, making it of interest in medicinal chemistry. Its molecular interactions could be significant in biological systems, potentially affecting enzyme activity or receptor binding. Overall, this compound's unique structural features contribute to its potential applications in pharmaceuticals or as a research tool in organic synthesis and medicinal chemistry.
Formula:C22H17NO4S
InChI:InChI=1S/C22H17NO4S/c24-20-16-9-3-6-14-7-4-10-17(19(14)16)21(25)23(20)12-5-13-28-18-11-2-1-8-15(18)22(26)27/h1-4,6-11H,5,12-13H2,(H,26,27)
InChI key:InChIKey=GMVZUCHUOYUMLL-UHFFFAOYSA-N
SMILES:O=C1C=2C=3C(C(=O)N1CCCSC4=C(C(O)=O)C=CC=C4)=CC=CC3C=CC2
Synonyms:
  • GRI 977143
  • 2-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylsulfanyl]benzoic acid
  • 2-[[3-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid
  • 2-[[3-(1,3-Dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]benzoic acid
  • Benzoic acid, 2-[[3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]thio]-
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