CAS 1346707-57-0
:4-[[(4-Chloro-2-pyridinyl)thio]methyl]benzonitrile
Description:
4-[[(4-Chloro-2-pyridinyl)thio]methyl]benzonitrile, identified by its CAS number 1346707-57-0, is a chemical compound that features a complex structure comprising a benzonitrile moiety and a thioether linkage to a chlorinated pyridine. This compound typically exhibits characteristics such as moderate solubility in organic solvents, which may include dimethyl sulfoxide (DMSO) and ethanol, while being less soluble in water due to its hydrophobic nature. The presence of the chloro and nitrile functional groups suggests potential reactivity, particularly in nucleophilic substitution reactions. Additionally, the pyridine ring contributes to its aromaticity and may influence its electronic properties, making it a candidate for various applications in medicinal chemistry and material science. The compound's specific interactions and stability can be influenced by environmental factors such as pH and temperature. Overall, its unique structural features may lend it utility in research and development, particularly in the synthesis of biologically active molecules or as a building block in organic synthesis.
Formula:C13H9ClN2S
InChI:InChI=1S/C13H9ClN2S/c14-12-5-6-16-13(7-12)17-9-11-3-1-10(8-15)2-4-11/h1-7H,9H2
InChI key:InChIKey=XLXHFYLNOFFBCC-UHFFFAOYSA-N
SMILES:C(SC1=CC(Cl)=CC=N1)C2=CC=C(C#N)C=C2
Synonyms:- 4-[[(4-Chloro-2-pyridinyl)thio]methyl]benzonitrile
- Benzonitrile, 4-[[(4-chloro-2-pyridinyl)thio]methyl]-
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