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CAS 58249-57-3

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1,3-benzothiazole-5-carbonitrile

Description:
1,3-Benzothiazole-5-carbonitrile is an organic compound characterized by its bicyclic structure, which includes a benzothiazole moiety and a cyano group. This compound typically exhibits a pale yellow to light brown solid appearance and is known for its aromatic properties due to the presence of the benzene ring. It is relatively stable under standard conditions and is soluble in organic solvents such as dimethyl sulfoxide (DMSO) and acetone, but less soluble in water. The presence of the cyano group contributes to its reactivity, making it a useful intermediate in organic synthesis and medicinal chemistry. 1,3-Benzothiazole derivatives are often studied for their biological activities, including antimicrobial and anticancer properties. Additionally, this compound may participate in various chemical reactions, such as nucleophilic substitutions and cycloadditions, due to the electron-withdrawing nature of the cyano group. Safety data should be consulted for handling, as with many organic compounds, it may pose health risks if ingested or inhaled.
Formula:C8H4N2S
InChI:InChI=1/C8H4N2S/c9-4-6-1-2-8-7(3-6)10-5-11-8/h1-3,5H
SMILES:c1cc2c(cc1C#N)ncs2
Synonyms:
  • 5-Benzothiazolecarbonitrile
  • 1,3-Benzothiazole-5-carbonitrile
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