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CS-W001157 4
Total: USD 88.00

2-{[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetic acid

  • CAS No. 115102-54-0

  • Cat. No. CS-0223549
  • Purity≥98%
  • MDL No.None

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

2-{[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetic acid|CS-0223549

Structure of 115102-54-0

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General Information

  • CAS No. 115102-54-0
  • Cat. No. CS-0223549
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁N₃O₄S
  • Molecular Weight 257.27
  • Synonym(s) {[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]thio}acetic acid
  • SMILES O=C(O)CSC1=NC=C(C(OCC)=O)C(N)=N1

Synthesis

  • Route1
    • null|null
      79-11-8
    • ~%
    • 2-{[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetic acid|CS-0223549
      115102-54-0

    References

    • Johnson; Ambler Journal of the American Chemical Society, 1911 , vol. 33, p. 981
  • Route2

    References

    • Ulbricht; Price Journal of Organic Chemistry, 1956 , vol. 21, p. 567,571
  • Route3

    References

    • Ulbricht; Price Journal of Organic Chemistry, 1956 , vol. 21, p. 567,571

Safety Information

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Computational Chemistry Data

  • TPSA   115.4
  • LogP   0.4122
  • H_Acceptors   7
  • H_Donors   2
  • Rotatable_Bonds   5

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