CAS 1291486-54-8

1,4-Dihydro-1-[3-(methylthio)phenyl]-4-oxo-3-pyridazinecarboxylic acid

Description:

1,4-Dihydro-1-[3-(methylthio)phenyl]-4-oxo-3-pyridazinecarboxylic acid is a chemical compound characterized by its unique structure, which includes a pyridazine ring and a carboxylic acid functional group. This compound features a methylthio substituent on a phenyl ring, contributing to its potential reactivity and biological activity. The presence of the 1,4-dihydro structure indicates that it may exhibit specific stereochemical properties, influencing its interactions in biological systems. The carboxylic acid group suggests that it can participate in acid-base reactions and may form salts or esters. Additionally, the compound's molecular structure may confer certain pharmacological properties, making it of interest in medicinal chemistry. Its CAS number, 1291486-54-8, allows for precise identification in chemical databases. Overall, this compound's characteristics suggest potential applications in pharmaceuticals or agrochemicals, although specific biological activities and applications would require further investigation through experimental studies.

Formula: C₁₂H₁₀N₂O₃S

InChI: InChI=1S/C12H10N2O3S/c1-18-9-4-2-3-8(7-9)14-6-5-10(15)11(13-14)12(16)17/h2-7H,1H3,(H,16,17)

InChI key: InChIKey=OYLLLCWBAYWVSM-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=NN(C=CC1=O)C2=CC(SC)=CC=C2

Synonyms:

• 1-[3-(Methylsulfanyl)phenyl]-4-oxo-1,4-dihydropyridazine-3-carboxylic acid
• 3-Pyridazinecarboxylic acid, 1,4-dihydro-1-[3-(methylthio)phenyl]-4-oxo-
• 1,4-Dihydro-1-[3-(methylthio)phenyl]-4-oxo-3-pyridazinecarboxylic acid