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CAS 80087-71-4

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6-Fluoro-2(3H)-benzothiazolethione

Description:
6-Fluoro-2(3H)-benzothiazolethione is a chemical compound characterized by its unique structure, which includes a benzothiazole ring system and a fluorine substituent. This compound typically exhibits properties associated with heterocyclic compounds, including potential biological activity due to the presence of the thiazole moiety. The fluorine atom can influence the compound's reactivity, lipophilicity, and overall pharmacokinetic properties, making it of interest in medicinal chemistry. The thione functional group (–C=S) may contribute to its reactivity, particularly in nucleophilic addition reactions. Additionally, compounds like this can be explored for their applications in agrochemicals, pharmaceuticals, or as intermediates in organic synthesis. Its specific physical properties, such as melting point, solubility, and spectral characteristics, would need to be determined experimentally or sourced from reliable databases for precise applications. Overall, 6-Fluoro-2(3H)-benzothiazolethione represents a class of compounds that can be valuable in various chemical and biological contexts.
Formula:C7H4FNS2
InChI:InChI=1S/C7H4FNS2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChI key:InChIKey=XDZVUKOOUHIRKY-UHFFFAOYSA-N
SMILES:S=C1NC=2C(S1)=CC(F)=CC2
Synonyms:
  • 6-Fluoro-2(3H)-benzothiazolethione
  • 6-Fluoro-2-mercaptobenzothiazole
  • 2(3H)-Benzothiazolethione, 6-fluoro-
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