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CS-W001157 4
Total: USD 88.00

2-(Methylsulfonyl)-1,3-benzothiazole

  • CAS No. 7144-49-2

  • Cat. No. CS-0210224
  • Molecule weight213.28
  • Purity≥97%
  • MDL No.MFCD00142947

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

2-(Methylsulfonyl)-1,3-benzothiazole|CS-0210224

Structure of 7144-49-2

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General Information

  • CAS No. 7144-49-2
  • Cat. No. CS-0210224
  • Purity ≥97%
  • MDL No. MFCD00142947
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO₂S₂
  • Molecular Weight 213.28
  • Synonym(s) Benzothiazole, 2-(methylsulfonyl)-
  • SMILES CS(=O)(=O)C1=NC2=CC=CC=C2S1

Description

2-(Methylsulfonyl)-1,3-benzothiazole features a sulfone group directly attached to the benzothiazole core, enhancing its polarity and metabolic stability. This moiety serves as a robust pharmacophore in medicinal chemistry, enabling efficient integration into bioactive molecules. The compound exhibits excellent bench stability and solubility in common organic solvents, facilitating use in multi-step synthesis and process development workflows.

Synthesis

  • Route1

    References

    • Takeda Pharmaceutical Company Limited Patent: EP2003116 A2, 2008 ; Location in patent: Page/Page column 14 ;
  • Route2
    • In-stock
      2-(Methylthio)benzothiazole|CS-W023165
      615-22-5
    • ~85%
    • null|null
      3507-54-8
    • In-stock
      2-(Methylsulfonyl)-1,3-benzothiazole|CS-0210224
      7144-49-2

    References

    • Pospisil, Jiri; Sato, Hitoshi Journal of Organic Chemistry, 2011 , vol. 76, # 7 p. 2269 - 2272
  • Route3
    • null|null
      117883-09-7
    • ~75%
    • In-stock
      2-(Methylsulfonyl)-1,3-benzothiazole|CS-0210224
      7144-49-2

    References

    • Monge; Del Carmen Pena; Palop; Caldero; Roca; Garcia; Romero; Del Rio; Lasheras Journal of Medicinal Chemistry, 1994 , vol. 37, # 9 p. 1320 - 1325

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+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   47.03
  • LogP   1.6998
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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