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Ethyl 6-chloro-3-(methylthio)-1,2,4-triazine-5-carboxylate

  • CAS No. 96259-28-8

  • Cat. No. CS-0578159
  • Molecule weight233.68
  • Purity≥98%
  • MDL No.None

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

Ethyl 6-chloro-3-(methylthio)-1,2,4-triazine-5-carboxylate|CS-0578159

Structure of 96259-28-8

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General Information

  • CAS No. 96259-28-8
  • Cat. No. CS-0578159
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈ClN₃O₂S
  • Molecular Weight 233.68
  • Synonym(s) ETHYL 6-CHLORO-3-(METHYLSULFANYL)-1,2,4-TRIAZINE-5-CARBOXYLATE
  • SMILES CCOC(=O)C1=C(N=NC(=N1)SC)Cl

Synthesis

  • Route1
    • null|null
      96259-27-7
    • ~89%
    • Ethyl 6-chloro-3-(methylthio)-1,2,4-triazine-5-carboxylate|CS-0578159
      96259-28-8

    References

    • Huang, Jim J. Journal of Organic Chemistry, 1985 , vol. 50, # 13 p. 2293 - 2298
  • Route2
    • 1,3-Diethyl 2-oxopropanedioate Sodium Valproate  Impurity|CS-0228867
      609-09-6
    • ~%
    • Ethyl 6-chloro-3-(methylthio)-1,2,4-triazine-5-carboxylate|CS-0578159
      96259-28-8

    References

    • Huang, Jim J. Journal of Organic Chemistry, 1985 , vol. 50, # 13 p. 2293 - 2298

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   64.97
  • LogP   1.4236
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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