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Benzothiazole-2-sulfonic acid

Base Information Edit
  • Chemical Name:Benzothiazole-2-sulfonic acid
  • CAS No.:941-57-1
  • Molecular Formula:C7H5NO3S2
  • Molecular Weight:215.254
  • Hs Code.:2934999090
  • European Community (EC) Number:825-261-5
  • DSSTox Substance ID:DTXSID80240528
  • Nikkaji Number:J323.207G
  • Wikidata:Q63396458
  • ChEMBL ID:CHEMBL4787785
  • Mol file:941-57-1.mol
Benzothiazole-2-sulfonic acid

Synonyms:benzothiazole-2-sulfonic acid

Suppliers and Price of Benzothiazole-2-sulfonic acid
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • American Custom Chemicals Corporation
  • BENZOTHIAZOLE-2-SULFONIC ACID 95.00%
  • 5MG
  • $ 499.05
  • aablocks
  • 2-Benzothiazolesulfonicacid(6CI,7CI,8CI,9CI) 95.0%
  • 500mg
  • $ 278.00
  • aablocks
  • 2-Benzothiazolesulfonicacid(6CI,7CI,8CI,9CI) 95.0%
  • 250mg
  • $ 168.00
  • aablocks
  • 2-Benzothiazolesulfonicacid(6CI,7CI,8CI,9CI) 95.0%
  • 100mg
  • $ 131.00
Total 28 raw suppliers
Chemical Property of Benzothiazole-2-sulfonic acid Edit
Chemical Property:
  • Refractive Index:1.713 
  • PKA:-3.52±0.40(Predicted) 
  • PSA:103.88000 
  • Density:1.668 g/cm3 
  • LogP:2.62380 
  • XLogP3:1.5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:1
  • Exact Mass:214.97108537
  • Heavy Atom Count:13
  • Complexity:285
Purity/Quality:

97% *data from raw suppliers

BENZOTHIAZOLE-2-SULFONIC ACID 95.00% *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)O
Technology Process of Benzothiazole-2-sulfonic acid

There total 13 articles about Benzothiazole-2-sulfonic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
benzothiazolyl-2-sulfur trifluoride; With potassium fluoride; chlorine; In acetonitrile; at 20 ℃;
With sodium hydrogencarbonate; In dichloromethane; water; at 20 ℃; for 0.333333h;
DOI:10.1016/j.jfluchem.2020.109635
Guidance literature:
With ammonia; 3,3-dimethyldioxirane; In methanol; dichloromethane; acetone; at 25 ℃;
Guidance literature:
Multi-step reaction with 6 steps
1: acetic acid
2: Et3N / acetone / Heating
3: NaOH / Ambient temperature
4: aq. HCl
5: aq. HCl
6: aq. NaHSO3 / Ambient temperature
With hydrogenchloride; sodium hydroxide; sodium hydrogensulfite; triethylamine; In acetic acid; acetone;
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