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2-(Methylthio)pyrimidin-5-ol

  • CAS No. 4874-33-3

  • Cat. No. CS-W002534
  • Molecule weight142.18
  • Purity≥97%
  • MDL No.MFCD00223737

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

2-(Methylthio)pyrimidin-5-ol|CS-W002534

Structure of 4874-33-3

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General Information

  • CAS No. 4874-33-3
  • Cat. No. CS-W002534
  • Purity ≥97%
  • MDL No. MFCD00223737
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆N₂OS
  • Molecular Weight 142.18
  • Synonym(s) 5-Pyrimidinol, 2-(methylthio)- (6CI,7CI,8CI,9CI)
  • SMILES CSc1ncc(cn1)O

Synthesis

  • Route1

    References

    • BRISTOL-MYERS SQUIBB COMPANY; WACKER, Dean, A.; ROSSI, Karen, A.; WANG, Ying; WU, Gang Patent: WO2010/9183 A1, 2010 ; Location in patent: Page/Page column 110 ; WO 2010/009183 A1
  • Route2

    References

    • Medina, Jesus R.; Henry, Theresa A.; Axten, Jeffrey M. Tetrahedron Letters, 2006 , vol. 47, # 41 p. 7363 - 7365
  • Route3
    • N,N-Dimethyl-N'-(2-(methylthio)pyrimidin-5-yl)formimidamide|CS-0666801
      52767-93-8
    • ~85%
    • In-stock
      2-(Methylthio)pyrimidin-5-ol|CS-W002534
      4874-33-3

    References

    • Kizner, T. A.; Mikhaleva, M. A.; Serebryakova, E. S. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1990 , vol. 26, # 6 p. 668 - 670 Khimiya Geterotsiklicheskikh Soedinenii, 1990 , # 6 p. 801 - 803

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   46.01
  • LogP   0.9041
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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