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CS-W001157 4
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6-Isopropyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one

  • CAS No. 28456-53-3

  • Cat. No. CS-0078740
  • Purity≥98%
  • MDL No.MFCD13248775

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

6-Isopropyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one|CS-0078740

Structure of 28456-53-3

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General Information

  • CAS No. 28456-53-3
  • Cat. No. CS-0078740
  • Purity ≥98%
  • MDL No. MFCD13248775
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀N₂OS
  • Molecular Weight 170.23
  • Synonym(s) 6-Isopropyl-2-mercaptopyrimidin-4-OL
  • SMILES S=C(N1)NC(C(C)C)=CC1=O

Synthesis

  • Route1

    References

    • GENENTECH, INC. Patent: US2010/317643 A1, 2010 ; Location in patent: Page/Page column 98 ; US 20100317643 A1
  • Route2
    • null|null
      563-80-4
    • ~%
    • 6-Isopropyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one|CS-0078740
      28456-53-3

    References

    • Bowden, Keith; Bright, Andrew C. Journal of Chemical Research, Miniprint, 1992 , # 2 p. 514 - 539

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

Quality Control

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Computational Chemistry Data

  • TPSA   48.65
  • LogP   1.55589
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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