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CS-W001157 4
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3-(acetylthio)-2-((acetylthio)methyl)propanoic acid

  • CAS No. 50826-72-7

  • Cat. No. CS-0019476
  • Molecule weight236.31
  • Purity≥98%
  • MDL No.None

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

3-(acetylthio)-2-((acetylthio)methyl)propanoic acid|CS-0019476

Structure of 50826-72-7

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General Information

  • CAS No. 50826-72-7
  • Cat. No. CS-0019476
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₄S₂
  • Molecular Weight 236.31
  • Synonym(s) 2-Acetylthiomethyl-3-acetylthiopropionic acid; 3-(Acetylsulfanyl)-2-[(acetylsulfanyl)methyl]propanoic acid
  • SMILES OC(C(CSC(C)=O)CSC(C)=O)=O

Synthesis

  • Route1

    References

    • Bianco, Armandodoriano; Bottari, Emilio; Festa, Maria Rosa; Gentile, Lorella; Serrilli, Anna Maria; Venditti, Alessandro Monatshefte fur Chemie, 2013 , vol. 144, # 12 p. 1767 - 1773
  • Route2

    References

    • Blaise, Christian; Malle, Gerard; Philippe, Michel Patent: US2005/208007 A1, 2005 ; Location in patent: Page/Page column 10-11 ;
  • Route3
    • null|null
      507-09-5
    • 2-[(Acetylthio)methyl]-2-propenoic acid|CS-0019477
      56140-22-8
    • ~%
    • 3-(acetylthio)-2-((acetylthio)methyl)propanoic acid|CS-0019476
      50826-72-7

    References

    • Wiehn, Matthias S.; Lindell, Stephen D.; Braese, Stefan Angewandte Chemie - International Edition, 2008 , vol. 47, # 42 p. 8120 - 8122

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   71.44
  • LogP   1.2466
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   5

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