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CS-W001157 4
Total: USD 88.00

4-Chloro-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine

  • CAS No. 1120214-78-9

  • Cat. No. CS-0050940
  • Purity≥97%
  • MDL No.None

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

4-Chloro-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine|CS-0050940

Structure of 1120214-78-9

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General Information

  • CAS No. 1120214-78-9
  • Cat. No. CS-0050940
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆ClN₃S
  • Molecular Weight 199.66
  • Synonym(s) 4-chloro-2-(methylthio)pyrrolo[2,1-f][1,2,4]triazine
  • SMILES CSC1=NN2C=CC=C2C(Cl)=N1

Synthesis

  • Route1
    • 2-(Methylthio)pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one|CS-0052224
      1232815-50-7
    • ~88%
    • 4-Chloro-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine|CS-0050940
      1120214-78-9

    References

    • CEPHALON, INC.; BRESLIN, Henry J.; CHATTERJEE, Sankar; DIEBOLD, James L.; DORSEY, Bruce D.; DUNN, Derek; GINGRICH, Diane E.; HOSTETLER, Greg A.; HUDKINS, Robert L.; HUNTER, Rachael; JOSEF, Kurt; LISKO, Joseph; MESAROS, Eugen F.; MILKIEWICZ, Karen L.; OTT, Gregory R.; SUNDAR, Babu G.; THEROFF, Jay P.; THIEU, Tho; TRIPATHY, Rabindranath; UNDERINER, Theodore L.; WEINBERG, Linda; WELLS, Gregory J.; ZIFICSAK, Craig A. Patent: WO2010/71885 A1, 2010 ; Location in patent: Page/Page column 336 ; WO 2010/071885 A1
  • Route2
    • null|null
      1232815-48-3
    • ~%
    • 4-Chloro-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine|CS-0050940
      1120214-78-9

    References

    • Thieu, Tho; Sclafani, Joseph A.; Levy, Daniel V.; McLean, Andrew; Breslin, Henry J.; Ott, Gregory R.; Bakale, Roger P.; Dorsey, Bruce D. Organic Letters, 2011 , vol. 13, # 16 p. 4204 - 4207

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

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Computational Chemistry Data

  • TPSA   30.19
  • LogP   2.1046
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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