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CAS 82894-99-3

:

4-(1,2,3-Thiadiazol-4-yl)benzonitrile

Description:
4-(1,2,3-Thiadiazol-4-yl)benzonitrile, with the CAS number 82894-99-3, is an organic compound characterized by the presence of a thiadiazole ring and a benzonitrile moiety. This compound typically exhibits a solid state at room temperature and is known for its potential applications in pharmaceuticals and agrochemicals due to its heterocyclic structure, which can influence biological activity. The thiadiazole ring contributes to its chemical reactivity and may enhance its ability to interact with biological targets. The presence of the nitrile group (-C≡N) is significant as it can participate in various chemical reactions, including nucleophilic additions and cycloadditions. Additionally, this compound may exhibit specific solubility characteristics, often being soluble in organic solvents while having limited solubility in water. Its molecular structure suggests potential for diverse applications in medicinal chemistry, particularly in the development of new therapeutic agents. As with many heterocyclic compounds, the precise properties can vary based on environmental conditions and the presence of substituents.
Formula:C9H5N3S
InChI:InChI=1S/C9H5N3S/c10-5-7-1-3-8(4-2-7)9-6-13-12-11-9/h1-4,6H
InChI key:InChIKey=LOLQDXFKXGCNFZ-UHFFFAOYSA-N
SMILES:C(#N)C1=CC=C(C=C1)C2=CSN=N2
Synonyms:
  • Benzonitrile, 4-(1,2,3-thiadiazol-4-yl)-
  • 4-(p-Cyanophenyl)-1,2,3-thiadiazole
  • 4-(1,2,3-Thiadiazol-4-yl)benzonitrile
  • 1,2,3-Thiadiazole, benzonitrile deriv.
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