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CS-W001157 4
Total: USD 88.00

3-[(4-Methoxyphenyl)thio]propanoic acid

  • CAS No. 13739-36-1

  • Cat. No. CS-0074842
  • Purity≥97%
  • MDL No.MFCD00219548

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

3-[(4-Methoxyphenyl)thio]propanoic acid|CS-0074842

Structure of 13739-36-1

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General Information

  • CAS No. 13739-36-1
  • Cat. No. CS-0074842
  • Purity ≥97%
  • MDL No. MFCD00219548
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₃S
  • Molecular Weight 212.27
  • Synonym(s) β-(4-methoxyphenylmercapto)propionic acid
  • SMILES O=C(O)CCSC(C=C1)=CC=C1OC

Synthesis

  • Route1

    References

    • Song, Jiangli; Jones, Lindsay M.; Kumar, G. D. Kishore; Conner, Elizabeth S.; Bayeh, Liela; Chavarria, Gustavo E.; Charlton-Sevcik, Amanda K.; Chen, Shen-En; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G. ACS Medicinal Chemistry Letters, 2012 , vol. 3, # 6 p. 450 - 453
  • Route2

    References

    • Chinese Journal of Chemistry, , vol. 29, # 4 p. 757 - 764
  • Route3

    References

    • Gao, Shijay; Tseng, Chi; Tsai, Cheng Hsuan; Yao, Ching-Fa Tetrahedron, 2008 , vol. 64, # 8 p. 1955 - 1961

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   46.53
  • LogP   2.262
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   5

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