2-amino-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide

Base Information

• Chemical Name: 2-amino-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide
• CAS No.: 17901-13-2
• Molecular Formula: C₉H₁₁N₃O₂S₂
• Molecular Weight: 257.337
• DSSTox Substance ID: DTXSID10406079
• Wikidata: Q82210949
• Mol file: 17901-13-2.mol

Synonyms:17901-13-2;2-amino-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide;2-Amino-benzothiazole-6-sulfonic acid dimethylamide;AKOS BBS-00000304;SCHEMBL9722822;DTXSID10406079;AKOS000268342;EN300-237861;F1420-0612

Chemical Property of 2-amino-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide

Chemical Property:

• PSA: 113.64000
• LogP: 2.13970
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 257.02926895
• Heavy Atom Count: 16
• Complexity: 352

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-benzothiazole-6-sulfonic acid dimethylamide 91% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N

Technology Process of 2-amino-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide

There total 3 articles about 2-amino-N,N-dimethyl-1,3-benzothiazole-6-sulfonamide 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:

4-amino-N,N-dimethylbenzenesulphonamide (1709-59-7) + ammonium thiocyanate (1147550-11-5) → 2-Amino-benzthiazol-6-sulfonsaeure-dimethylamid (17901-13-2)

Guidance literature:

With bromine; In acetic acid;

Reference yield:

4-amino-N,N-dimethylbenzenesulphonamide (1709-59-7) + sodium thiocyanide (540-72-7) → 2-Amino-benzthiazol-6-sulfonsaeure-dimethylamid (17901-13-2)

Guidance literature:

With bromine; acetic acid;

DOI:10.1002/ardp.19412790604

Reference yield:

→ 2-Amino-benzthiazol-6-sulfonsaeure-dimethylamid (17901-13-2)

Guidance literature:

upstream raw materials:

4-amino-N,N-dimethylbenzenesulphonamide

sodium thiocyanide

ammonium thiocyanate