CAS 946744-58-7

2-[[(2-Methyl-5-oxo-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]thio]acetic acid

Description:

2-[[(2-Methyl-5-oxo-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]thio]acetic acid is a chemical compound characterized by its unique structure, which includes a thiadiazole and pyrimidine moiety. This compound features a thioether linkage, connecting a thiol group to an acetic acid functional group, which may impart specific reactivity and solubility properties. The presence of the thiadiazole ring suggests potential biological activity, as such heterocycles are often found in pharmacologically active compounds. The methyl and oxo substituents contribute to the overall stability and reactivity of the molecule. In terms of physical properties, while specific values such as melting point or solubility are not provided, compounds of this nature typically exhibit moderate to high polarity due to the presence of functional groups. The compound's potential applications may include medicinal chemistry, where it could serve as a lead compound for drug development, particularly in targeting specific biological pathways. Further studies would be necessary to elucidate its full chemical behavior and biological activity.

Formula: C₉H₉N₃O₃S₂

InChI: InChI=1S/C9H9N3O3S2/c1-5-11-12-7(13)2-6(10-9(12)17-5)3-16-4-8(14)15/h2H,3-4H2,1H3,(H,14,15)

InChI key: InChIKey=JFTURNDBLBNHTE-UHFFFAOYSA-N

SMILES: O=C1N2C(=NC(CSCC(O)=O)=C1)SC(C)=N2

Synonyms:

• 2-[[(2-Methyl-5-oxo-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]thio]acetic acid
• Acetic acid, 2-[[(2-methyl-5-oxo-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]thio]-