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CAS 671-41-0

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5-fluoro-4-thioxo-3,4-dihydropyrimidin-2(1H)-one

Description:
5-Fluoro-4-thioxo-3,4-dihydropyrimidin-2(1H)-one, with the CAS number 671-41-0, is a heterocyclic compound that belongs to the pyrimidine family. This substance features a pyrimidine ring with a thioxo group and a fluorine atom at specific positions, contributing to its unique chemical properties. It is characterized by its potential biological activity, often studied for its role in medicinal chemistry, particularly as an antitumor or antiviral agent. The presence of the thioxo group enhances its reactivity, making it a valuable intermediate in organic synthesis. Additionally, the fluorine atom can influence the compound's lipophilicity and metabolic stability, which are critical factors in drug design. The compound is typically solid at room temperature and may exhibit moderate solubility in polar solvents. Its synthesis often involves multi-step reactions, and it can be analyzed using techniques such as NMR and mass spectrometry to confirm its structure and purity. Overall, 5-fluoro-4-thioxo-3,4-dihydropyrimidin-2(1H)-one is of interest in both academic and pharmaceutical research contexts.
Formula:C4H3FN2OS
InChI:InChI=1/C4H3FN2OS/c5-2-1-6-4(8)7-3(2)9/h1H,(H2,6,7,8,9)
SMILES:c1c(c(nc(n1)O)S)F
Synonyms:
  • 2(1H)-pyrimidinone, 5-fluoro-3,4-dihydro-4-thioxo-
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