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CAS 2487-40-3

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2-Thioxanthine

Description:
2-Thioxanthine is a heterocyclic compound that belongs to the class of purines, specifically a derivative of xanthine. It features a sulfur atom replacing one of the oxygen atoms typically found in xanthine, which contributes to its unique chemical properties. The molecular formula of 2-thioxanthine is C7H6N4S, indicating the presence of carbon, hydrogen, nitrogen, and sulfur atoms. This compound is characterized by its aromatic structure, which includes a fused bicyclic system that enhances its stability and reactivity. 2-Thioxanthine exhibits biological activity, often studied for its potential roles in pharmacology and biochemistry, particularly in relation to its effects on nucleic acid metabolism and enzyme inhibition. Its solubility properties can vary, and it may be soluble in polar solvents. As with many sulfur-containing compounds, 2-thioxanthine may exhibit distinct reactivity patterns, making it of interest in synthetic organic chemistry and medicinal chemistry research. Safety data should be consulted for handling and usage, as with any chemical substance.
Formula:C5H4N4OS
InChI:InChI=1S/C5H4N4OS/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChI key:InChIKey=XNHFAGRBSMMFKL-UHFFFAOYSA-N
SMILES:O=C1C2=C(NC(=S)N1)N=CN2
Synonyms:
  • 1,2,3,9-Tetrahydro-2-thioxo-6H-purin-6-one
  • 2,3-Dihydro-2-thioxo-9H-purin-6(1H)-one
  • 2-Mecapto-6-hydroxypurine
  • 2-Mercapto-1,9-dihydro-purin-6-one
  • 2-Mercapto-6-hydroxypurine
  • 2-Mercaptohypoxanthine
  • 2-Sulfanyl-1H-purin-6-ol
  • 2-Sulfanyl-6,7-dihydro-1H-purin-6-one
  • 2-Sulfanyl-6,9-dihydro-1H-purin-6-one
  • 2-Sulfanyl-7H-purin-6-ol
  • See more synonyms
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