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Atomfair benzothiazolium, 5,6-dimethoxy-3-(3-sulfopropyl)-, inner salt C12H15NO5S2 CAS 188999-66-8

Benzothiazolium, 5,6-dimethoxy-3-(3-sulfopropyl)-, inner salt (CAS No. 188999-66-8) is a high-purity sulfonated benzothiazolium derivative with the molecular formula C12H15NO5S2. This zwitterionic compound features a benzothiazole core functionalized with dimethoxy groups and a sulfopropyl side chain, making it a versatile intermediate for organic synthesis and material science applications. Its IUPAC name is 3-(5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate , and it is characterized by its exceptional stability and solubility in polar solvents. Suitable for researchers in photochemistry, electrochemistry, and dye synthesis, this compound is rigorously quality-controlled to ensure consistency in spectroscopic and analytical studies. Available in customizable quantities with detailed technical data sheets (MSDS, NMR, HPLC) upon…

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Description

Benzothiazolium, 5,6-dimethoxy-3-(3-sulfopropyl)-, inner salt (CAS No. 188999-66-8) is a high-purity sulfonated benzothiazolium derivative with the molecular formula C12H15NO5S2. This zwitterionic compound features a benzothiazole core functionalized with dimethoxy groups and a sulfopropyl side chain, making it a versatile intermediate for organic synthesis and material science applications. Its IUPAC name is 3-(5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate, and it is characterized by its exceptional stability and solubility in polar solvents. Suitable for researchers in photochemistry, electrochemistry, and dye synthesis, this compound is rigorously quality-controlled to ensure consistency in spectroscopic and analytical studies. Available in customizable quantities with detailed technical data sheets (MSDS, NMR, HPLC) upon request.

Properties

  • CAS Number: 188999-66-8
  • Complexity: 397
  • IUPAC Name: 3-(5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
  • InChI: InChI=1S/C12H15NO5S2/c1-17-10-6-9-12(7-11(10)18-2)19-8-13(9)4-3-5-20(14,15)16/h6-8H,3-5H2,1-2H3
  • InChI Key: GJHVHHGIYZNELU-UHFFFAOYSA-N
  • Exact Mass: 317.03916493
  • Molecular Formula: C12H15NO5S2
  • Molecular Weight: 317.4
  • SMILES: COC1=C(C=C2C(=C1)[N+](=CS2)CCCS(=O)(=O)[O-])OC
  • Topological: 116
  • Monoisotopic Mass: 317.03916493
  • Synonyms: 188999-66-8, Benzothiazolium, 5,6-dimethoxy-3-(3-sulfopropyl)-, inner salt, DTXSID101180014, DTXCID101611358, GJHVHHGIYZNELU-UHFFFAOYSA-N, 3-(5,6-Dimethoxybenzo[d]thiazol-3-ium-3-yl)propane-1-sulfonate

Application

This benzothiazolium derivative is widely used as a fluorescent probe in biochemical assays due to its unique photophysical properties. It serves as a key precursor in the synthesis of functional dyes for solar cells and OLEDs. Researchers also employ it as a zwitterionic buffer component in electrophoresis and chromatography. Its sulfonate group enhances water solubility, making it ideal for aqueous-phase catalytic studies.

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Disclaimer

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  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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