Product Description
Factory Location:Beijing
AI Product Description
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The chemical compound known as 1,3,5-Triazine-2,4(1H,3H)-dione, 3-(1,1-dimethylethyl)-6-(ethylthio)-, is a specialized heterocyclic molecule belonging to the triazine family. Its molecular formula is C9H14N2O2S, and it carries the CAS Registry Number 100978-25-4. Structurally, this molecule features a six-membered 1,3,5-triazine ring substituted with two carbonyl groups at positions 2 and 4, creating a barbituric acid-like core. At position 3, the ring bears a bulky tert-butyl group (1,1-dimethylethyl), which significantly influences its steric properties and metabolic stability. Position 6 is substituted with an ethylthio group (-SEt), introducing sulfur chemistry that can be pivotal for subsequent derivatization or specific biological interactions.
This compound serves primarily as a valuable intermediate in the fine chemical industry, particularly within pharmaceutical research and agrochemical synthesis. The presence of the reactive thioether moiety allows chemists to perform nucleophilic substitutions or oxidation reactions to generate diverse analogs. In drug discovery, such triazine derivatives are often explored for their potential bioactivity, including antifungal, herbicidal, or enzyme-inhibiting properties, although specific applications depend heavily on the final derivative structure. The tert-butyl group provides lipophilicity, potentially enhancing membrane permeability in biological assays, while the thioether offers a handle for further functionalization.
Due to its specific substitution pattern, this material is not typically found as a commercial commodity product but rather as a custom-synthesized reagent for laboratory-scale investigations. Researchers utilize it to study structure-activity relationships (SAR) or to develop novel catalysts and ligands. Handling requires standard safety precautions common to organic solvents and sulfur-containing compounds, including proper ventilation and personal protective equipment. As synthetic intermediates often possess unknown toxicity profiles until fully characterized, strict adherence to laboratory safety protocols is essential. Overall, 3-(tert-butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione represents a versatile building block for advanced materials science and medicinal chemistry, bridging the gap between simple heterocycles and complex therapeutic agents.