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CAS 66698-66-6

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6-tert-butyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

Description:
6-tert-butyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is a heterocyclic compound characterized by its pyrimidine ring structure, which features a thioxo group (a sulfur atom double-bonded to a carbon atom) and a tert-butyl substituent. This compound typically exhibits properties associated with thioxo derivatives, such as potential reactivity in nucleophilic addition reactions due to the presence of the sulfur atom. The tert-butyl group contributes to its hydrophobic character, influencing its solubility in organic solvents. Additionally, the compound may exhibit biological activity, as many pyrimidine derivatives are known for their roles in pharmaceuticals and agrochemicals. Its molecular structure suggests it could participate in various chemical reactions, including condensation and substitution reactions, making it of interest in synthetic organic chemistry. The presence of the thioxo group may also impart unique electronic properties, potentially affecting its reactivity and interactions with other molecules. Overall, this compound represents a class of organic molecules with diverse applications in medicinal chemistry and material science.
Formula:C8H12N2OS
InChI:InChI=1/C8H12N2OS/c1-8(2,3)5-4-6(11)10-7(12)9-5/h4H,1-3H3,(H2,9,10,11,12)
SMILES:CC(C)(C)c1cc(nc(n1)S)O
Synonyms:
  • 4(1H)-pyrimidinone, 6-(1,1-dimethylethyl)-2,3-dihydro-2-thioxo-
  • 4(3H)-pyrimidinone, 6-(1,1-dimethylethyl)-2-mercapto-
  • 6-tert-Butyl-2-sulfanylpyrimidin-4(3H)-one
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