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CS-W001157 4
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2-[(3-chlorophenyl)sulfanyl]acetic acid

  • CAS No. 3996-38-1

  • Cat. No. CS-0242400
  • Molecule weight202.66
  • Purity≥97%
  • MDL No.None

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

2-[(3-chlorophenyl)sulfanyl]acetic acid|CS-0242400

Structure of 3996-38-1

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General Information

  • CAS No. 3996-38-1
  • Cat. No. CS-0242400
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇ClO₂S
  • Molecular Weight 202.66
  • Synonym(s) 2-(3-Chlorophenylthio)acetic acid
  • SMILES O=C(O)CSC1=CC=CC(Cl)=C1

Synthesis

  • Route1

    References

    • Okaecwe, Thokozile; Swanepoel, Abraham J.; Petzer, Anel; Bergh, Jacobus J.; Petzer, Jacobus P. Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 14 p. 4336 - 4347
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    References

    • Pasto,D.J. et al. Journal of Organic Chemistry, 1965 , vol. 30, p. 2688 - 2691
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    • 2-[(3-chlorophenyl)sulfanyl]acetic acid|CS-0242400
      3996-38-1

    References

    • Friedlaender; Chwala; Slubek Monatshefte fuer Chemie, 1907 , vol. 28, p. 251,273

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.5167
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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