CAS 1443279-60-4

2-[(1-Methyl-4-nitro-1H-pyrazol-3-yl)thio]acetic acid

Description:

2-[(1-Methyl-4-nitro-1H-pyrazol-3-yl)thio]acetic acid is a chemical compound characterized by its unique structure, which includes a pyrazole ring substituted with a nitro group and a thioether linkage to an acetic acid moiety. This compound typically exhibits properties such as moderate solubility in polar solvents due to the presence of the carboxylic acid functional group, while the pyrazole ring contributes to its potential biological activity. The nitro group may enhance the compound's reactivity and influence its electronic properties. Additionally, the thioether linkage can impart specific steric and electronic characteristics that may affect the compound's interactions in biological systems. Overall, this compound may be of interest in medicinal chemistry and pharmacology, particularly for its potential applications in drug development or as a biochemical probe. Its specific characteristics, including melting point, boiling point, and spectral data, would require experimental determination or reference to detailed chemical databases for precise values.

Formula: C₆H₇N₃O₄S

InChI: InChI=1S/C6H7N3O4S/c1-8-2-4(9(12)13)6(7-8)14-3-5(10)11/h2H,3H2,1H3,(H,10,11)

InChI key: InChIKey=KKOGVWJVSNEINW-UHFFFAOYSA-N

SMILES: N(=O)(=O)C=1C(SCC(O)=O)=NN(C)C1

Synonyms:

• Acetic acid, 2-[(1-methyl-4-nitro-1H-pyrazol-3-yl)thio]-
• 2-[(1-Methyl-4-nitro-1H-pyrazol-3-yl)thio]acetic acid

2-[(1-Methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid

CAS: 1443279-60-4

Versatile small molecule scaffold

Formula: C₆H₇N₃O₄S

Purity: Min. 95%

Molecular weight: 217.21 g/mol

Ref: 3D-THC27960