In the realm of organic chemistry and synthesis, understanding the precise molecular structure of a compound is fundamental to predicting its reactivity and guiding its application. For 9H-Purin-2-amine,6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-, identified by CAS 5581-52-2, this understanding is key to unlocking its full potential as a fine chemical intermediate.

The structure of 5581-52-2 is characterized by a purine core, a bicyclic aromatic organic compound consisting of fused pyrimidine and imidazole rings. Attached to this purine base is an amine group at the 2-position and a thioether linkage at the 6-position. This thioether connects the purine ring system to a 1-methyl-4-nitro-1H-imidazol-5-yl moiety. This specific arrangement of functional groups—the purine ring, the amine, the nitro group, and the imidazole ring—dictates the molecule's electronic properties, solubility, and potential reaction pathways.

For chemists engaged in custom synthesis or process development, recognizing these structural features is crucial. The nitro group, for instance, can be a site for reduction reactions, while the imidazole ring offers potential for further functionalization or coordination chemistry. The thioether linkage can also participate in various redox reactions or cleavage processes. This complexity makes 5581-52-2 a versatile building block, enabling the construction of more elaborate molecules used in pharmaceuticals and potentially other advanced materials.

When sourcing this compound, particularly for demanding synthesis projects, it is important to ensure that the product's identity and purity are verified. Reputable suppliers will provide detailed analytical data, including spectroscopic information (like NMR and MS), which confirms the correct molecular structure. This level of detail is invaluable for chemists aiming for high yield and purity in their synthetic routes, ensuring that their experimental outcomes align with theoretical predictions based on the known chemical structure of 5581-52-2.