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CAS 100859-88-9

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3-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine

Description:
3-Chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine is a heterocyclic compound characterized by its pyrazolo-pyrimidine structure, which consists of a fused pyrazole and pyrimidine ring system. The presence of a chlorine atom at the 3-position and a methylthio group at the 6-position contributes to its unique chemical properties. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. It is of interest in medicinal chemistry due to its potential biological activities, including anti-inflammatory and anti-cancer properties. The methylthio group can enhance lipophilicity, potentially influencing its pharmacokinetic profile. Additionally, the compound may participate in various chemical reactions typical of halogenated and sulfur-containing compounds, making it a versatile intermediate in organic synthesis. Safety data should be consulted for handling, as halogenated compounds can pose health risks. Overall, 3-chloro-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine represents a significant structure in the development of pharmaceutical agents.
Formula:C6H5ClN4S
InChI:InChI=1/C6H5ClN4S/c1-12-6-8-2-3-4(7)10-11-5(3)9-6/h2H,1H3,(H,8,9,10,11)
SMILES:CSc1ncc2c(Cl)n[nH]c2n1
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