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CS-W001157 4
Total: USD 88.00

3-Thio-pheneacrylic acid methyl ester

  • CAS No. 135835-43-7

  • Cat. No. CS-0468967
  • Molecule weight168.21
  • Purity≥98%
  • MDL No.MFCD08062207

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

3-Thio-pheneacrylic acid methyl ester|CS-0468967

Structure of 135835-43-7

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General Information

  • CAS No. 135835-43-7
  • Cat. No. CS-0468967
  • Purity ≥98%
  • MDL No. MFCD08062207
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₂S
  • Molecular Weight 168.21
  • Synonym(s) None
  • SMILES O=C(OC)C=CC1=CSC=C1

Synthesis

  • Route1

    References

    • THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; HE, Biao; MANN, Michael; JABLONS, David, M. Patent: WO2013/13190 A1, 2013 ; Location in patent: Paragraph 00216 ;
  • Route2
    • In-stock
      3-Bromothiophene|CS-W009226
      872-31-1
    • null|null
      292638-85-8
    • ~72%
    • In-stock
      3-Thio-pheneacrylic acid methyl ester|CS-0468967
      135835-43-7

    References

    • Xie, Guanlei; Chellan, Prinessa; Mao, Jincheng; Chibale, Kelly; Smith, Gregory S. Advanced Synthesis and Catalysis, 2010 , vol. 352, # 10 p. 1641 - 1647
  • Route3

    References

    • Martins, Andrew; Lautens, Mark Journal of Organic Chemistry, 2008 , vol. 73, # 22 p. 8705 - 8710

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.9343
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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