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CS-W001157 4
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Ethyl 6-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate

  • CAS No. 774-07-2

  • Cat. No. CS-0078660
  • Purity≥95%
  • MDL No.MFCD00023227

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

Ethyl 6-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate|CS-0078660

Structure of 774-07-2

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General Information

  • CAS No. 774-07-2
  • Cat. No. CS-0078660
  • Purity ≥95%
  • MDL No. MFCD00023227
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉N₃O₂S
  • Molecular Weight 199.23
  • Synonym(s) Ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate
  • SMILES S=C1NC(N)=C(C(OCC)=O)C=N1

Synthesis

  • Route1
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      17356-08-0
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    • In-stock
      Ethyl 6-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate|CS-0078660
      774-07-2

    References

    • Scherbinina; Dar'In; Lobanov Chemistry of Heterocyclic Compounds, 2010 , vol. 46, # 9 p. 1109 - 1115
  • Route2
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      (E)-Ethyl 2-cyano-3-ethoxyacrylate|CS-0023511
      42466-67-1
    • null|null
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    • ~%
    • In-stock
      Ethyl 6-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate|CS-0078660
      774-07-2

    References

    • Journal of the American Chemical Society, , vol. 78, p. 5294,5296 Journal of Organic Chemistry, , vol. 21, p. 567,571 Journal of the American Chemical Society, , vol. 67, p. 2197,2200 Org.Synth.Coll.Vol.IV <1963>566

Safety Information

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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   81
  • LogP   0.89809
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   2

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