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CS-W001157 4
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6-Thioxo-1,3,6,9-tetrahydro-2H-purin-2-one

  • CAS No. 2002-59-7

  • Cat. No. CS-W019267
  • Purity≥97%
  • MDL No.MFCD00143509

*For research and further manufacturing use only, not for direct human use.

6-Thioxo-1,3,6,9-tetrahydro-2H-purin-2-one|CS-W019267

Structure of 2002-59-7

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General Information

  • CAS No. 2002-59-7
  • Cat. No. CS-W019267
  • Purity ≥97%
  • MDL No. MFCD00143509
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄N₄OS
  • Molecular Weight 168.18
  • Synonym(s) 6-Thioxanthine
  • SMILES O=C(N1)NC2=C(N=CN2)C1=S

Description

6-Thioxo-1,3,6,9-tetrahydro-2H-purin-2-one is a heterocyclic purine derivative featuring a thiocarbonyl group at the C6 position. This electron-deficient scaffold enables selective incorporation into nucleoside analogs and serves as a key intermediate in the synthesis of modified purine scaffolds for medicinal chemistry applications.

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 76, p. 5633,5635,5636
  • Route2
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      40769-62-8
    • ~%
    • In-stock
      6-Thioxo-1,3,6,9-tetrahydro-2H-purin-2-one|CS-W019267
      2002-59-7

    References

    • US2697709 , ;
  • Route3

    References

    • US2697709 , ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   77.33
  • LogP   0.30879
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   0

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