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CS-W001157 4
Total: USD 88.00

5-[Bis(methylsulfanyl)methylene]-2,2-dimethyl-[1,3]dioxan-4,6-dione

  • CAS No. 100981-05-3

  • Cat. No. CS-M2689
  • Molecule weight248.32
  • Purity≥98%
  • MDL No.MFCD00107207

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

5-[Bis(methylsulfanyl)methylene]-2,2-dimethyl-[1,3]dioxan-4,6-dione|CS-M2689

Structure of 100981-05-3

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General Information

  • CAS No. 100981-05-3
  • Cat. No. CS-M2689
  • Purity ≥98%
  • MDL No. MFCD00107207
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂O₄S₂
  • Molecular Weight 248.32
  • Synonym(s) 5-[BIS(METHYLSULFANYL)METHYLENE]-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE
  • SMILES O=C1/C(C(OC(C)(C)O1)=O)=C(SC)/SC

Synthesis

  • Route1
    • null|null
      74-88-4
    • ~29%
    • 5-[Bis(methylsulfanyl)methylene]-2,2-dimethyl-[1,3]dioxan-4,6-dione|CS-M2689
      100981-05-3

    References

    • BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. Patent: WO2005/56562 A1, 2005 ; Location in patent: Page/Page column 79 ; WO 2005/056562 A1
  • Route2

    References

    • American Home Products Corporation Patent: US4547516 A1, 1985 ;
  • Route3
    • null|null
      75-15-0
    • In-stock
      Meldrum's acid|CS-D1154
      2033-24-1
    • null|null
      74-88-4
    • ~49%
    • 5-[Bis(methylsulfanyl)methylene]-2,2-dimethyl-[1,3]dioxan-4,6-dione|CS-M2689
      100981-05-3

    References

    • Hunter, Gordon A.; McNab, Hamish Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1995 , # 10 p. 1209 - 1214

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H228
Precautionary Statements : P210-P240-P241-P280-P370+P378

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.7601
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   2

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