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CS-W001157 4
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5-Oxo-3-sulfanyl-4,5-dihydro-1,2,4-triazine-6-carboxylic acid

  • CAS No. 7338-75-2

  • Cat. No. CS-0222588
  • Purity95+%
  • MDL No.None

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

5-Oxo-3-sulfanyl-4,5-dihydro-1,2,4-triazine-6-carboxylic acid|CS-0222588

Structure of 7338-75-2

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General Information

  • CAS No. 7338-75-2
  • Cat. No. CS-0222588
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃N₃O₃S
  • Molecular Weight 173.15
  • Synonym(s) 3-Mercapto-5-oxo-4,5-dihydro-1,2,4-triazine-6-carboxylic acid
  • SMILES O=C(O)C1=NNC(=S)NC1=O

Synthesis

  • Route1
    • null|null
      113520-78-8
    • ~%
    • 5-Oxo-3-sulfanyl-4,5-dihydro-1,2,4-triazine-6-carboxylic acid|CS-0222588
      7338-75-2

    References

    • Journal of the American Chemical Society, , vol. 78, p. 1938,1939
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 78, p. 1258
  • Route3
    • 1,3-Diethyl 2-oxopropanedioate Sodium Valproate  Impurity|CS-0228867
      609-09-6
    • ~%
    • 5-Oxo-3-sulfanyl-4,5-dihydro-1,2,4-triazine-6-carboxylic acid|CS-0222588
      7338-75-2

    References

    • US4081441 A1, ;

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   98.84
  • LogP   -0.47431
  • H_Acceptors   4
  • H_Donors   3
  • Rotatable_Bonds   1

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