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CS-W001157 4
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2-(Methylthio)pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one

  • CAS No. 1232815-50-7

  • Cat. No. CS-0052224
  • Molecule weight181.21
  • Purity≥97%
  • MDL No.None

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

2-(Methylthio)pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one|CS-0052224

Structure of 1232815-50-7

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General Information

  • CAS No. 1232815-50-7
  • Cat. No. CS-0052224
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇N₃OS
  • Molecular Weight 181.21
  • Synonym(s) 2-Methylsulfanyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
  • SMILES CSC1=NN2C=CC=C2C(=O)N1

Synthesis

  • Route1
    • null|null
      1232815-48-3
    • ~%
    • 2-(Methylthio)pyrrolo[2,1-f][1,2,4]triazin-4(3H)-one|CS-0052224
      1232815-50-7

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

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Computational Chemistry Data

  • TPSA   50.16
  • LogP   0.7445
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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