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CAS 155863-02-8

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Pyridinium, 4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]-1-(2-isothiocyanatoethyl)-, bromide (1:1)

Description:
Pyridinium, 4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]-1-(2-isothiocyanatoethyl)-, bromide (1:1), with CAS number 155863-02-8, is a chemical compound characterized by its complex structure, which includes a pyridinium ring, an oxazole moiety, and an isothiocyanate functional group. This compound typically exhibits properties associated with both its aromatic and heterocyclic components, such as potential biological activity and solubility in polar solvents. The presence of the isothiocyanate group suggests possible reactivity in nucleophilic substitution reactions, while the bromide ion may influence its solubility and stability. The compound may also demonstrate interesting pharmacological properties, making it a subject of interest in medicinal chemistry. Its unique structure could lead to applications in various fields, including drug development and agrochemicals. However, specific physical and chemical properties such as melting point, boiling point, and spectral data would require empirical determination or literature reference for precise characterization.
Formula:C20H18N3O2S·Br
InChI:InChI=1S/C20H18N3O2S.BrH/c26-14-21-7-10-23-8-5-15(6-9-23)19-13-22-20(25-19)17-3-4-18-16(12-17)2-1-11-24-18;/h3-6,8-9,12-13H,1-2,7,10-11H2;1H/q+1;/p-1
InChI key:InChIKey=DKHIKMKBZZKQPN-UHFFFAOYSA-M
SMILES:C(CN=C=S)[N+]=1C=CC(C=2OC(=NC2)C=3C=C4C(=CC3)OCCC4)=CC1.[Br-]
Synonyms:
  • Pyridinium, 4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]-1-(2-isothiocyanatoethyl)-, bromide (1:1)
  • Pyridinium, 4-[2-(3,4-dihydro-2H-1-benzopyran-6-yl)-5-oxazolyl]-1-(2-isothiocyanatoethyl)-, bromide
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