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CAS 38275-43-3

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2-(Methylthio)-5-pyrimidinecarbonitrile

Description:
2-(Methylthio)-5-pyrimidinecarbonitrile, with the CAS number 38275-43-3, is a heterocyclic organic compound characterized by the presence of a pyrimidine ring substituted with a methylthio group and a cyano group. This compound typically exhibits a pale yellow to light brown solid appearance and is soluble in polar organic solvents. The methylthio group contributes to its unique chemical reactivity, allowing for potential applications in medicinal chemistry and agrochemicals. The cyano group enhances its electronic properties, making it a valuable intermediate in organic synthesis. Additionally, the compound may exhibit biological activity, which can be explored for pharmaceutical applications. Its stability under standard conditions and reactivity with various nucleophiles or electrophiles can be leveraged in synthetic pathways. As with many heterocycles, it may also participate in hydrogen bonding and other intermolecular interactions, influencing its physical properties and behavior in different environments. Proper handling and safety measures should be observed due to potential toxicity associated with its chemical structure.
Formula:C6H5N3S
InChI:InChI=1S/C6H5N3S/c1-10-6-8-3-5(2-7)4-9-6/h3-4H,1H3
InChI key:InChIKey=NCVUCROTSCMJDI-UHFFFAOYSA-N
SMILES:C(#N)C=1C=NC(SC)=NC1
Synonyms:
  • 2-(Methylsulfanyl)pyrimidine-5-carbonitrile
  • 2-(Methylthio)-5-pyrimidinecarbonitrile
  • 2-Methylsulfanylpyrimidine-5-carbonitrile
  • 5-Carbonitrile-2-(Methylthio)Pyrimidine
  • 5-Pyrimidinecarbonitrile, 2-(methylthio)-
  • 2-(Methylthio)pyrimidine-5-carbonitrile
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