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Ethyl 2-(ethylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate

  • CAS No. 5518-76-3

  • Cat. No. CS-B0230
  • Purity≥98%
  • MDL No.MFCD00023246

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

Ethyl 2-(ethylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate|CS-B0230

Structure of 5518-76-3

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General Information

  • CAS No. 5518-76-3
  • Cat. No. CS-B0230
  • Purity ≥98%
  • MDL No. MFCD00023246
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₂O₃S
  • Molecular Weight 228.27
  • Synonym(s) 5-Pyrimidinecarboxylic acid, 2-(ethylthio)-4-hydroxy-, ethyl ester
  • SMILES O=C1NC(SCC)=NC=C1C(OCC)=O

Synthesis

  • Route1

    References

    • Wheeler; Johns American Chemical Journal, 1908 , vol. 40, p. 242 Full Text Show Details Wheeler; Johnson; Johns American Chemical Journal, 1907 , vol. 37, p. 396
  • Route2

    References

    • Johnson; Chi Recueil des Travaux Chimiques des Pays-Bas, 1930 , vol. 49, p. 86,88
  • Route3
    • null|null
      105-53-3
    • ~%
    • Ethyl 2-(ethylthio)-6-oxo-1,6-dihydropyrimidine-5-carboxylate|CS-B0230
      5518-76-3

    References

    • Wheeler; Johns American Chemical Journal, 1908 , vol. 40, p. 242

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   72.05
  • LogP   1.0586
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   4

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