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CS-W001157 4
Total: USD 88.00

2-[(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid

  • CAS No. 134616-73-2

  • Cat. No. CS-0223853
  • Purity≥95%
  • MDL No.None

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

2-[(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid|CS-0223853

Structure of 134616-73-2

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General Information

  • CAS No. 134616-73-2
  • Cat. No. CS-0223853
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₃S
  • Molecular Weight 224.24
  • Synonym(s) [(3-Cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)thio]acetic acid
  • SMILES CC1=CC(=NC(=C1C#N)SCC(=O)O)O

Synthesis

  • Route1
    • 2-Mercapto-4-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile|CS-0678866
      93272-85-6
    • null|null
      79-11-8
    • ~95%
    • 2-[(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid|CS-0223853
      134616-73-2

    References

    • Dyachenko, V. D.; Sharanin, Yu. A.; Shestopalov, A. M.; Rodinovskaya, L. A.; Turov, A. V.; et al. J. Gen. Chem. USSR (Engl. Transl.), 1990 , vol. 60, # 10 p. 2384 - 2392,2131 - 2138
  • Route2
    • 4-Methyl-6-oxo-2-sulfanyl-1,6-dihydropyridine-3-carbonitrile, morpholine|CS-0246191
      93300-80-2
    • null|null
      79-11-8
    • ~%
    • 2-[(3-cyano-4-methyl-6-oxo-1,6-dihydropyridin-2-yl)sulfanyl]acetic acid|CS-0223853
      134616-73-2

    References

    • Dyachenko, V. D.; Sharanin, Yu. A.; Shestopalov, A. M.; Rodinovskaya, L. A.; Turov, A. V.; et al. J. Gen. Chem. USSR (Engl. Transl.), 1990 , vol. 60, # 10 p. 2384 - 2392,2131 - 2138

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   94.21
  • LogP   1.144
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   3

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