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CAS 52525-55-0

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ethylbenzothiazolylidenemethylpropenyl-sulfooxybu

Description:
Ethylbenzothiazolylidenemethylpropenyl-sulfooxybu, identified by the CAS number 52525-55-0, is a chemical compound that belongs to a class of organic compounds featuring a benzothiazole moiety. This compound typically exhibits characteristics such as a complex molecular structure, which may contribute to its unique chemical reactivity and potential applications in various fields, including materials science and pharmaceuticals. The presence of functional groups such as sulfonate and propenyl suggests that it may possess polar characteristics, enhancing its solubility in polar solvents. Additionally, the benzothiazole ring often imparts biological activity, making such compounds of interest in medicinal chemistry. The specific properties, such as melting point, boiling point, and spectral characteristics, would depend on the precise molecular structure and arrangement of atoms. As with many organic compounds, safety data sheets should be consulted for handling and toxicity information, as the presence of sulfonate groups may influence the compound's environmental and health safety profile.
Formula:C24H26N2O4S3
InChI:InChI=1/C24H26N2O4S3/c1-4-25-19-9-5-7-11-21(19)31-23(25)15-17(2)16-24-26(14-13-18(3)30-33(27,28)29)20-10-6-8-12-22(20)32-24/h5-12,15-16,18H,4,13-14H2,1-3H3
SMILES:CC[N+]1=C(C=C(C)C=C2N(CCC(C)O[S-](=O)(=O)=O)C3=CC=CC=C3S2)SC2=CC=CC=C12
Synonyms:
  • 2-[3-(3-Ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-3-[3-(sulfooxy)butyl]benzothiazolium hydroxide inner salt
  • 3-Ethyl-9-methyl-3-(3-sulfatobutyl)thiacarbocyanine betaine
  • 3-{2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-2-methylprop-1-en-1-yl]-1,3-benzothiazol-3-ium-3-yl}-1-methylpropyl sulfate
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