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CS-W001157 4
Total: USD 88.00

1,2λ6-oxathiolane-2,2,5-trione

  • CAS No. 5961-88-6

  • Cat. No. CS-0264502
  • Purity95+%
  • MDL No.None

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

1,2λ6-oxathiolane-2,2,5-trione|CS-0264502

Structure of 5961-88-6

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General Information

  • CAS No. 5961-88-6
  • Cat. No. CS-0264502
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₄O₄S
  • Molecular Weight 136.13
  • Synonym(s) 1,2-Oxathiolan-5-one, 2,2-dioxide
  • SMILES C1CS(=O)(=O)OC1=O

Synthesis

  • Route1
    • null|null
      107-96-0
    • ~%
    • 1,2λ6-oxathiolane-2,2,5-trione|CS-0264502
      5961-88-6

    References

    • AstraZeneca AB Patent: US6734184 B1, 2004 ; Location in patent: Page/Page column 23 ; US 6734184 B1
  • Route2
    • 3-Sulfopropanoic acid|CS-0526977
      44826-45-1
    • ~81%
    • 1,2λ6-oxathiolane-2,2,5-trione|CS-0264502
      5961-88-6

    References

    • Polyakova, Svetlana M.; Belov, Vladimir N.; Bossi, Mariano L.; Hell, Stefan W. European Journal of Organic Chemistry, 2011 , # 18 p. 3301 - 3312
  • Route3
    • null|null
      802294-64-0
    • ~59%
    • 1,2λ6-oxathiolane-2,2,5-trione|CS-0264502
      5961-88-6

    References

    • Lourenco, Nuno M. T.; Monteiro, Carlos M.; Afonso, Carlos A. M. European Journal of Organic Chemistry, 2010 , # 36 p. 6938 - 6943

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

Quality Control

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Computational Chemistry Data

  • TPSA   60.44
  • LogP   -0.7369
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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