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CS-W001157 4
Total: USD 88.00

4-(Benzylsulfanyl)benzoic acid

  • CAS No. 22855-95-4

  • Cat. No. CS-0206630
  • Purity≥98%
  • MDL No.MFCD06804476

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

4-(Benzylsulfanyl)benzoic acid|CS-0206630

Structure of 22855-95-4

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General Information

  • CAS No. 22855-95-4
  • Cat. No. CS-0206630
  • Purity ≥98%
  • MDL No. MFCD06804476
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₂O₂S
  • Molecular Weight 244.31
  • Synonym(s) 4-(Benzylthio)benzoic acid
  • SMILES O=C(O)C1=CC=C(SCC2=CC=CC=C2)C=C1

Synthesis

  • Route1

    References

    • Ko, Jaeyoung; Ham, Jungyeob; Yang, Inho; Chin, Jungwook; Nam, Sang-Jip; Kang, Heonjoong Tetrahedron Letters, 2006 , vol. 47, # 39 p. 7101 - 7106
  • Route2
    • null|null
      100-44-7
    • 4-Aminobenzoic acid Conivaptan Impurity|CS-0213989
      150-13-0
    • ~81%
    • 4-(Benzylsulfanyl)benzoic acid|CS-0206630
      22855-95-4

    References

    • Li, Yiming; Pu, Jiahua; Jiang, Xuefeng Organic Letters, 2014 , vol. 16, # 10 p. 2692 - 2695
  • Route3

    References

    • Hikawa, Hidemasa; Yokoyama, Yuusaku Organic and Biomolecular Chemistry, 2012 , vol. 10, # 15 p. 2942 - 2945

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H318-H410
Precautionary Statements : P264-P270-P273-P280-P330-P391-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.6771
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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