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CS-W001157 4
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Methyl 3-[(2-methoxy-2-oxoethyl)sulfanyl]butanoate

  • CAS No. 78648-41-6

  • Cat. No. CS-0261919
  • Purity≥98%
  • MDL No.None

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

Methyl 3-[(2-methoxy-2-oxoethyl)sulfanyl]butanoate|CS-0261919

Structure of 78648-41-6

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General Information

  • CAS No. 78648-41-6
  • Cat. No. CS-0261919
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₄S
  • Molecular Weight 206.26
  • Synonym(s) METHYL 3-[(2-METHOXY-2-OXOETHYL)THIO]BUTANOATE
  • SMILES CC(SCC(OC)=O)CC(OC)=O

Synthesis

  • Route1
    • null|null
      623-43-8
    • null|null
      2365-48-2
    • ~90%
    • Methyl 3-[(2-methoxy-2-oxoethyl)sulfanyl]butanoate|CS-0261919
      78648-41-6

    References

    • ARRAY BIOPHARMA INC.; MITCHELL, Ian S.; BLAKE, James F.; XU, Rui; KALLAN, Nicholas C.; XIAO, Dengming; SPENCER, Keith Lee; BENCSIK, Josef R. Patent: WO2008/6039 A1, 2008 ; Location in patent: Page/Page column 66 ; WO 2008/006039 A1

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   0.8442
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   5

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