CAS 886498-57-3

2-[[5-Methyl-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetic acid

Description:

2-[[5-Methyl-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetic acid, with the CAS number 886498-57-3, is a chemical compound characterized by its unique structure that includes a triazole ring and a thioether functional group. This compound typically exhibits properties associated with both acidic and thioether functionalities, which may influence its reactivity and solubility in various solvents. The presence of the 2-propen-1-yl group suggests potential for further chemical modifications, making it a candidate for various applications in organic synthesis or as a pharmaceutical intermediate. The triazole moiety is known for its biological activity, often contributing to the compound's potential as a bioactive agent. Additionally, the compound's stability and reactivity can be influenced by environmental factors such as pH and temperature. Overall, this compound's unique structural features and functional groups may provide avenues for research in medicinal chemistry and agrochemical applications.

Formula: C₈H₁₁N₃O₂S

InChI: InChI=1S/C8H11N3O2S/c1-3-4-11-6(2)9-10-8(11)14-5-7(12)13/h3H,1,4-5H2,2H3,(H,12,13)

InChI key: InChIKey=JFZZJMHRPVJQPH-UHFFFAOYSA-N

SMILES: C(C=C)N1C(SCC(O)=O)=NN=C1C

Synonyms:

• 2-[[5-Methyl-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]acetic acid
• Acetic acid, [[5-methyl-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]thio]-
• Acetic acid, 2-[[5-methyl-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-