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CS-W001157 4
Total: USD 88.00

3-Methyl-2-(methylthio)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate

  • CAS No. 55514-14-2

  • Cat. No. CS-0380425
  • Purity≥98%
  • MDL No.None

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

3-Methyl-2-(methylthio)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate|CS-0380425

Structure of 55514-14-2

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General Information

  • CAS No. 55514-14-2
  • Cat. No. CS-0380425
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₇NO₃S₃
  • Molecular Weight 367.51
  • Synonym(s) 3-methyl-2-methylsulfanyl-1,3-benzothiazol-3-ium
  • SMILES O=S([O-])(C1=CC=C(C)C=C1)=O.CSC(S2)=[N+](C)C3=C2C=CC=C3

Synthesis

  • Route1
    • In-stock
      2-(Methylthio)benzothiazole|CS-W023165
      615-22-5
    • null|null
      80-48-8
    • ~87%
    • In-stock
      3-Methyl-2-(methylthio)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate|CS-0380425
      55514-14-2

    References

    • CANCER RESEARCH TECHNOLOGY LIMITED Patent: US2009/247579 A1, 2009 ; Location in patent: Page/Page column 35 ;
  • Route2

    References

    • Beilenson; Hamer Journal of the Chemical Society, 1939 , p. 143,149
  • Route3
    • null|null
      95-51-2
    • ~%
    • In-stock
      3-Methyl-2-(methylthio)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate|CS-0380425
      55514-14-2

    References

    • Li, Xiaokai; Srinivasan, Sharan R.; Connarn, Jamie; Ahmad, Atta; Young, Zapporah T.; Kabza, Adam M.; Zuiderweg, Erik. R. P.; Sun, Duxin; Gestwicki, Jason E. ACS Medicinal Chemistry Letters, 2013 , vol. 4, # 11 p. 1042 - 1047

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   61.08
  • LogP   3.34682
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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