CAS 885523-98-8

3-Cyano-1,2-dihydro-6-(1-methylethyl)-2-thioxo-4-pyridinecarboxylic acid

Description:

3-Cyano-1,2-dihydro-6-(1-methylethyl)-2-thioxo-4-pyridinecarboxylic acid, with the CAS number 885523-98-8, is a chemical compound that belongs to the class of pyridine derivatives. This substance features a pyridine ring substituted with a cyano group and a thioxo moiety, contributing to its unique chemical properties. The presence of the isopropyl group (1-methylethyl) enhances its hydrophobic characteristics, which can influence its solubility and reactivity. The thioxo group introduces potential for various chemical interactions, including nucleophilic attacks and coordination with metal ions. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its structural features suggest potential applications in agrochemicals or as intermediates in organic synthesis. However, specific data regarding its physical properties, such as melting point, boiling point, and solubility, would require empirical investigation or reference to specialized chemical databases. As with any chemical, handling should be conducted with appropriate safety measures due to potential toxicity or reactivity.

Formula: C₁₀H₁₀N₂O₂S

InChI: InChI=1S/C10H10N2O2S/c1-5(2)8-3-6(10(13)14)7(4-11)9(15)12-8/h3,5H,1-2H3,(H,12,15)(H,13,14)

InChI key: InChIKey=PAYFKGZXZLDWJW-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(C#N)C(=S)NC(C(C)C)=C1

Synonyms:

• 3-Cyano-1,2-dihydro-6-(1-methylethyl)-2-thioxo-4-pyridinecarboxylic acid
• 4-Pyridinecarboxylic acid, 3-cyano-1,2-dihydro-6-(1-methylethyl)-2-thioxo-