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CS-W001157 4
Total: USD 88.00

2-[(Acetylthio)methyl]-3-phenylpropionic Acid

  • CAS No. 91702-98-6

  • Cat. No. CS-0154990
  • Molecule weight238.30
  • Purity≥97%
  • MDL No.MFCD00236751

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

2-[(Acetylthio)methyl]-3-phenylpropionic Acid|CS-0154990

Structure of 91702-98-6

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General Information

  • CAS No. 91702-98-6
  • Cat. No. CS-0154990
  • Purity ≥97%
  • MDL No. MFCD00236751
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₃S
  • Molecular Weight 238.30
  • Synonym(s) a-[(Acetylthio)methyl]benzenepropanoic Acid
  • SMILES CC(=O)SCC(CC1=CC=CC=C1)C(=O)O

Synthesis

  • Route1
    • 2-Benzylacrylic acid Racecadotril Impurity|CS-0229693
      5669-19-2
    • null|null
      507-09-5
    • ~99%
    • 2-[(Acetylthio)methyl]-3-phenylpropionic Acid|CS-0154990
      91702-98-6

    References

    • Neustadt; Smith; Nechuta; Bronnenkant; Haslanger; Watkins; Foster; Sybertz Journal of Medicinal Chemistry, 1994 , vol. 37, # 15 p. 2461 - 2476
  • Route2
    • 2-Benzylacrylic acid Racecadotril Impurity|CS-0229693
      5669-19-2
    • ~%
    • 2-[(Acetylthio)methyl]-3-phenylpropionic Acid|CS-0154990
      91702-98-6

    References

    • US4263293 A1, ;
  • Route3

    References

    • Pharmazie, , vol. 61, # 12 p. 994 - 998

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   2.2096
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   5

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