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CS-W001157 4
Total: USD 88.00

4-(Phenylthio)benzoicacid

  • CAS No. 6310-24-3

  • Cat. No. CS-0171415
  • Purity≥95%
  • MDL No.None

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

4-(Phenylthio)benzoicacid|CS-0171415

Structure of 6310-24-3

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General Information

  • CAS No. 6310-24-3
  • Cat. No. CS-0171415
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀O₂S
  • Molecular Weight 230.28
  • Synonym(s) 4-(Phenylthio)benzoic acid
  • SMILES C1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)O

Synthesis

  • Route1
    • null|null
      40730-41-4
    • ~95%
    • 4-(Phenylthio)benzoicacid|CS-0171415
      6310-24-3

    References

    • CONSTELLATION PHARMACEUTICALS; ALBRECHT, Brian, K.; AUDIA, James, Edmund; COOK, Andrew; GAGNON, Alexandre; HARMANGE, Jean-christophe; NAVESCHUK, Christopher, G. Patent: WO2013/75083 A1, 2013 ; Location in patent: Paragraph 00234; 00236 ;
  • Route2

    References

    • Gogoi, Prasanta; Kalita, Mukul; Barman, Pranjit Synlett, 2014 , vol. 25, # 6 art. no. 47, p. 866 - 870
  • Route3

    References

    • Taniguchi, Nobukazu Synlett, 2006 , # 9 p. 1351 - 1354

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H401-H411
Precautionary Statements : P264-P270-P273-P330-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.536
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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