CAS 1006483-08-4

2-[[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methyl]thio]acetic acid

Description:

2-[[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methyl]thio]acetic acid is a chemical compound characterized by its unique structure, which includes a pyrazole ring and a thioether functional group. The presence of the ethyl and methyl substituents on the pyrazole ring contributes to its hydrophobic characteristics, while the acetic acid moiety introduces polar functional groups, enhancing its solubility in polar solvents. This compound may exhibit biological activity due to the pyrazole core, which is often associated with various pharmacological properties. The thioether linkage can influence the compound's reactivity and stability, potentially affecting its interactions in biological systems. Additionally, the compound's molecular weight and specific stereochemistry can play significant roles in its behavior in chemical reactions and biological applications. Overall, 2-[[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methyl]thio]acetic acid represents a complex structure with potential utility in medicinal chemistry and related fields.

Formula: C₉H₁₄N₂O₂S

InChI: InChI=1S/C9H14N2O2S/c1-3-11-7(2)8(4-10-11)5-14-6-9(12)13/h4H,3,5-6H2,1-2H3,(H,12,13)

InChI key: InChIKey=MFUJOOAQQAMKRH-UHFFFAOYSA-N

SMILES: C(SCC(O)=O)C1=C(C)N(CC)N=C1

Synonyms:

• 2-[[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methyl]thio]acetic acid
• Acetic acid, 2-[[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]thio]-
• {[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]thio}acetic acid
• 2-{[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]sulfanyl}acetic acid

2-{[(1-Ethyl-5-methyl-1H-pyrazol-4-yl)methyl]sulfanyl}acetic acid

CAS: 1006483-08-4

Versatile small molecule scaffold

Formula: C₉H₁₄N₂O₂S

Purity: Min. 95%

Molecular weight: 214.29 g/mol

Ref: 3D-GQB48308