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6-(tert-Butyl)thieno[2,3-d]pyrimidin-4(1H)-one

  • CAS No. 439692-54-3

  • Cat. No. CS-0527181
  • Molecule weight208.28
  • Purity≥98%
  • MDL No.MFCD04973931

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

6-(tert-Butyl)thieno[2,3-d]pyrimidin-4(1H)-one|CS-0527181

Structure of 439692-54-3

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General Information

  • CAS No. 439692-54-3
  • Cat. No. CS-0527181
  • Purity ≥98%
  • MDL No. MFCD04973931
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂OS
  • Molecular Weight 208.28
  • Synonym(s) 6-tert-Butyl-3H-thieno[2,3-d]pyrimidin-4-one
  • SMILES O=C1C(C=C(C(C)(C)C)S2)=C2NC=N1

Synthesis

  • Route1
    • In-stock
      Methyl 2-amino-5-(tert-butyl)thiophene-3-carboxylate|CS-0127739
      216574-71-9
    • null|null
      77287-34-4
    • ~63%
    • 6-(tert-Butyl)thieno[2,3-d]pyrimidin-4(1H)-one|CS-0527181
      439692-54-3

    References

    • Horiuchi, Takao; Nagata, Motoko; Kitagawa, Mayumi; Akahane, Kouichi; Uoto, Kouichi Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 23 p. 7850 - 7860

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   45.75
  • LogP   2.2821
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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