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CS-W001157 4
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3-(2-Methylbenzo[d]thiazol-3-ium-3-yl)propane-1-sulfonate

  • CAS No. 56405-37-9

  • Cat. No. CS-0545887
  • Purity≥98%
  • MDL No.None

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

3-(2-Methylbenzo[d]thiazol-3-ium-3-yl)propane-1-sulfonate|CS-0545887

Structure of 56405-37-9

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General Information

  • CAS No. 56405-37-9
  • Cat. No. CS-0545887
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₃S₂
  • Molecular Weight 271.36
  • Synonym(s) Benzothiazolium, 2-methyl-3-(3-sulfopropyl)-, inner salt
  • SMILES CC1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)[O-]

Synthesis

  • Route1

    References

    • Okoh, Okoh Adeyi; Bisby, Roger H.; Lawrence, Clare L.; Rolph, Carole E.; Smith, Robert B. Journal of Sulfur Chemistry, 2014 , vol. 35, # 1 p. 42 - 56

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   61.08
  • LogP   1.43252
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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