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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 1542-23-0

  • Cat. No. CS-0045795
  • Purity≥97%
  • MDL No.MFCD23140891

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

5-Fluoro-2-thioxo-2,3-dihydropyrimidin-4(1H)-one|CS-0045795

Structure of 1542-23-0

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General Information

  • CAS No. 1542-23-0
  • Cat. No. CS-0045795
  • Purity ≥97%
  • MDL No. MFCD23140891
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃FN₂OS
  • Molecular Weight 146.14
  • Synonym(s) L-2-Mercapto-4-hydroxy-5-fluoropyrimidine
  • SMILES FC1C=NC(=S)NC1=O

Synthesis

  • Route1
    • 4-Amino-5-fluoro-2-pyrimidinethiol|CS-0117872
      67316-49-8
    • ~62%
    • 5-Fluoro-2-thioxo-2,3-dihydropyrimidin-4(1H)-one|CS-0045795
      1542-23-0

    References

    • Bretner; Kulikowski; Dzik; Balinska; Rode; Shugar Journal of Medicinal Chemistry, 1993 , vol. 36, # 23 p. 3611 - 3617
  • Route2
    • 5-Fluoro-2-(methylthio)pyrimidin-4-ol|CS-0337172
      1480-92-8
    • ~%
    • 5-Fluoro-2-thioxo-2,3-dihydropyrimidin-4(1H)-one|CS-0045795
      1542-23-0

    References

    • US2802005 , ; Journal of the American Chemical Society, , vol. 79, p. 4559
  • Route3
    • null|null
      722-18-9
    • ~%
    • 5-Fluoro-2-thioxo-2,3-dihydropyrimidin-4(1H)-one|CS-0045795
      1542-23-0

    References

    • US2802005 , ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   41.46
  • LogP   -0.19
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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