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CS-W001157 4
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2-(2-Mercaptophenyl)acetic acid

  • CAS No. 39161-85-8

  • Cat. No. CS-0581344
  • Molecule weight168.21
  • Purity≥98%
  • MDL No.None

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

2-(2-Mercaptophenyl)acetic acid|CS-0581344

Structure of 39161-85-8

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General Information

  • CAS No. 39161-85-8
  • Cat. No. CS-0581344
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₂S
  • Molecular Weight 168.21
  • Synonym(s) 2-Mercaptophenylacetic acid
  • SMILES C1=CC=C(C(=C1)CC(=O)O)S

Synthesis

  • Route1
    • Benzo[b]thiophen-2(3h)-one|CS-0666078
      496-31-1
    • ~91%
    • 2-(2-Mercaptophenyl)acetic acid|CS-0581344
      39161-85-8

    References

    • Chen, Shuyi; Zhao, Xianrui; Chen, Jingyi; Chen, Jin; Kuznetsova, Larisa; Wong, Stanislaus S.; Ojima, Iwao Bioconjugate Chemistry, 2010 , vol. 21, # 5 p. 979 - 987
  • Route2

    References

    • Jiang, Yongwen; Qin, Yuxia; Xie, Siwei; Zhang, Xiaojing; Dong, Jinhua; Ma, Dawei Organic Letters, 2009 , vol. 11, # 22 p. 5250 - 5253
  • Route3
    • null|null
      79099-22-2
    • ~%
    • 2-(2-Mercaptophenyl)acetic acid|CS-0581344
      39161-85-8

    References

    • GLAXO GROUP LIMITED; WANG, Yonghui; YANG, Ting; LIU, Qian; XIANG, Jia-Ning Patent: WO2012/28100 A1, 2012 ; Location in patent: Page/Page column 27 ; WO 2012/028100 A1

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.6024
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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