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1-(4-Fluorophenyl)-2-(2-(methylthio)pyrimidin-4-yl)ethanone

  • CAS No. 217661-99-9

  • Cat. No. CS-0093060
  • Purity≥98%
  • MDL No.MFCD18157689

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

1-(4-Fluorophenyl)-2-(2-(methylthio)pyrimidin-4-yl)ethanone|CS-0093060

Structure of 217661-99-9

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General Information

  • CAS No. 217661-99-9
  • Cat. No. CS-0093060
  • Purity ≥98%
  • MDL No. MFCD18157689
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₁FN₂OS
  • Molecular Weight 262.30
  • Synonym(s) 1-(4-Fluorophenyl)-2-[2-(methylsulfanyl)pyrimidin-4-yl]ethan-1-one
  • SMILES CSC1=NC=CC(CC(C2=CC=C(F)C=C2)=O)=N1

Synthesis

  • Route1

    References

    • Collis, Alan J; Foster, Martyn L; Halley, Frank; Maslen, Christopher; McLay, Iain M; Page, Kenneth M; Redford; Souness, John E; Wilsher, Nicola E Bioorganic and Medicinal Chemistry Letters, 2001 , vol. 11, # 5 p. 693 - 696
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    References

    • McKenna, Jeffrey M.; Halley, Frank; Souness, John E.; McLay, Iain M.; Pickett, Stephen D.; Collis, Alan J.; Page, Kenneth; Ahmed, Imtiaz Journal of Medicinal Chemistry, 2002 , vol. 45, # 11 p. 2173 - 2184
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    References

    • Griffin, John; Lanza, Guido; Yu, Jessen Patent: US2005/261354 A1, 2005 ; Location in patent: Page/Page column 96; 97 ; US 20050261354 A1

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   42.85
  • LogP   2.763
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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