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CS-W001157 4
Total: USD 88.00

2-{[(4-chlorophenyl)methyl]sulfanyl}acetic acid

  • CAS No. 90649-82-4

  • Cat. No. CS-0221636
  • Purity≥97%
  • MDL No.None

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

2-{[(4-chlorophenyl)methyl]sulfanyl}acetic acid|CS-0221636

Structure of 90649-82-4

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General Information

  • CAS No. 90649-82-4
  • Cat. No. CS-0221636
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉ClO₂S
  • Molecular Weight 216.68
  • Synonym(s) [(4-Chlorobenzyl)thio]acetic acid
  • SMILES C1=C(C=CC(=C1)Cl)CSCC(=O)O

Synthesis

  • Route1

    References

    • Ning, Xianling; Guo, Ying; Wang, Xiaowei; Ma, Xiaoyan; Tian, Chao; Shi, Xueqi; Zhu, Renzong; Cheng, Can; Du, Yansheng; Ma, Zhizhong; Zhang, Zhili; Liu, Junyi Journal of Medicinal Chemistry, 2014 , vol. 57, # 10 p. 4302 - 4312
  • Route2

    References

    • Soper et al. Journal of the American Chemical Society, 1948 , vol. 70, p. 2849,2851 Full Text Show Details Newman; Fones; Renoll Journal of the American Chemical Society, 1947 , vol. 69, p. 718,721
  • Route3
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    • 2-{[(4-chlorophenyl)methyl]sulfanyl}acetic acid|CS-0221636
      90649-82-4

    References

    • Henkel and Cie. Patent: DE814596 , 1948 ; DRP/DRBP Org.Chem. Full Text Show Details Nopco Chem. Co. Patent: US3124588 , 1961 ;

Safety Information

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.6578
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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