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CS-W001157 4
Total: USD 88.00

2-[(3-methylphenyl)sulfanyl]acetic acid

  • CAS No. 3996-30-3

  • Cat. No. CS-0309281
  • Molecule weight182.24
  • Purity95+%
  • MDL No.None

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

2-[(3-methylphenyl)sulfanyl]acetic acid|CS-0309281

Structure of 3996-30-3

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General Information

  • CAS No. 3996-30-3
  • Cat. No. CS-0309281
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₂S
  • Molecular Weight 182.24
  • Synonym(s) 2-(m-Tolylthio)acetic acid
  • SMILES CC1=CC(=CC=C1)SCC(=O)O

Synthesis

  • Route1
    • null|null
      108-40-7
    • null|null
      79-11-8
    • ~%
    • 2-[(3-methylphenyl)sulfanyl]acetic acid|CS-0309281
      3996-30-3

    References

    • Behaghel Journal fuer Praktische Chemie (Leipzig), 1926 , vol. <2> 114, p. 298
  • Route2
    • null|null
      108-40-7
    • null|null
      3926-62-3
    • ~%
    • 2-[(3-methylphenyl)sulfanyl]acetic acid|CS-0309281
      3996-30-3

    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
  • Route3
    • null|null
      124-38-9
    • 3-MethylThioanisole|CS-0695315
      4886-77-5
    • ~%
    • 2-[(3-methylphenyl)sulfanyl]acetic acid|CS-0309281
      3996-30-3

    References

    • Cabiddu, Salvatore; Fattuoni, Claudia; Floris, Costantino; Gelli, Gioanna; Melis, Stefana; Sotgiu, Francesca Tetrahedron, 1990 , vol. 46, # 3 p. 861 - 884

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.17172
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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