6-Amino-2-benzothiazolesulfonamide

Base Information

• Chemical Name: 6-Amino-2-benzothiazolesulfonamide
• CAS No.: 94641-11-9
• Molecular Formula: C7H7 N3 O2 S2
• Molecular Weight: 229.28
• Hs Code.: 2935009090
• UNII: MR69RTSOVN
• DSSTox Substance ID: DTXSID20879078
• Nikkaji Number: J326.059C
• Wikidata: Q82861120
• Pharos Ligand ID: 9C5MK1J7RTNH
• ChEMBL ID: CHEMBL35118
• Mol file: 94641-11-9.mol

Synonyms:6-amino-2-benzothiazolesulfonamide;aminozolamide

Chemical Property of 6-Amino-2-benzothiazolesulfonamide

Chemical Property:

• Vapor Pressure: 6.1E-11mmHg at 25°C
• Boiling Point: 520.7°Cat760mmHg
• Flash Point: 268.7°C
• PSA: 135.69000
• Density: 1.667g/cm³
• LogP: 2.88820
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 228.99796882
• Heavy Atom Count: 14
• Complexity: 313

Purity/Quality:

≥99% ^*data from raw suppliers

6-Aminobenzo[d]thiazole-2-sulfonamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1N)SC(=N2)S(=O)(=O)N

Technology Process of 6-Amino-2-benzothiazolesulfonamide

There total 2 articles about 6-Amino-2-benzothiazolesulfonamide 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:

Reference yield: 82.9%

→ 6-amino-2-benzothiazolesulfonamide (94641-11-9)

Guidance literature:

Reference yield:

6-nitro-2-benzothiazolesulfonamide (94641-10-8) → 6-amino-2-benzothiazolesulfonamide (94641-11-9)

Guidance literature:

In ethanol; palladium;

Reference yield:

6-amino-2-benzothiazolesulfonamide (94641-11-9) + C23H23N3O2S → C30H28N6O3S3

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In acetonitrile; at 4 ℃;

DOI:10.1021/jm9901879

upstream raw materials:

6-nitro-2-benzothiazolesulfonamide

Refernces

• 1、 -. "Benzothiazole-2-sulfonamide derivatives for the topical treatment of elevated intraocular pressure". . . Retrieved 2008/06/13.