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CS-W001157 4
Total: USD 88.00

2-(Methylthio)-4-pyrimidinecarbonitrile

  • CAS No. 1124-75-0

  • Cat. No. CS-0045725
  • Purity≥98%
  • MDL No.MFCD02683212

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

2-(Methylthio)-4-pyrimidinecarbonitrile|CS-0045725

Structure of 1124-75-0

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General Information

  • CAS No. 1124-75-0
  • Cat. No. CS-0045725
  • Purity ≥98%
  • MDL No. MFCD02683212
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅N₃S
  • Molecular Weight 151.19
  • Synonym(s) 2-methylsulfanylpyrimidine-4-carbonitrile
  • SMILES N#CC1=NC(SC)=NC=C1

Synthesis

  • Route1
    • null|null
      544-92-3
    • In-stock
      4-lodo-2-(methylthio)pyrimidine|CS-0007657
      1122-74-3
    • ~77%
    • In-stock
      2-(Methylthio)-4-pyrimidinecarbonitrile|CS-0045725
      1124-75-0

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2006/9889 A1, 2006 ; Location in patent: Page/Page column 56 ; WO 2006/009889 A1
  • Route2
    • In-stock
      2-Chloropyrimidine-4-carbonitrile|CS-W019761
      75833-38-4
    • null|null
      5188-07-8
    • ~64%
    • In-stock
      2-(Methylthio)-4-pyrimidinecarbonitrile|CS-0045725
      1124-75-0

    References

    • Takeda Chemical Industries, Ltd. Patent: EP1424336 A1, 2004 ; Location in patent: Page 210 ;
  • Route3
    • null|null
      13435-20-6
    • null|null
      6622-64-6
    • ~85%
    • In-stock
      2-(Methylthio)-4-pyrimidinecarbonitrile|CS-0045725
      1124-75-0

    References

    • Hermann, Klaus; Simchen, Gerhard Liebigs Annalen der Chemie, 1981 , # 2 p. 333 - 341

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

Quality Control

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Computational Chemistry Data

  • TPSA   49.57
  • LogP   1.07018
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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