2-Amino-1,3-benzothiazole-6-sulfonamide

Base Information

• Chemical Name: 2-Amino-1,3-benzothiazole-6-sulfonamide
• CAS No.: 18101-58-1
• Molecular Formula: C7H7N3O2S2
• Molecular Weight: 229.283
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID20352715
• Nikkaji Number: J609.488K
• Wikidata: Q82130001
• ChEMBL ID: CHEMBL3410012
• Mol file: 18101-58-1.mol

Synonyms:2-amino-1,3-benzothiazole-6-sulfonamide;18101-58-1;2-Amino-benzothiazole-6-sulfonic acid amide;2-Aminobenzo[d]thiazole-6-sulfonamide;2-aminobenzothiazole-6-sulfonamide;Oprea1_781858;SCHEMBL687982;IFLab1_005626;SPR_12;CHEMBL3410012;BDBM36008;DTXSID20352715;CGJUKQLMOOVGOC-UHFFFAOYSA-N;HMS1427P16;2-amino-6-aminosulfonylbenzothiazole;6-Benzothiazolesulfonamide,2-amino-;MFCD00600628;STL478473;AKOS000268340;SDCCGMLS-0065606.P001;IDI1_011029;BS-13909;PD144771;2-aminobenzothiazole-6-sulfonic acid amide;FT-0677773;EN300-07723;E89159;SR-01000078358;J-507734;SR-01000078358-1;(3-Hydroxymethyl-benzyl)-carbamicacidtert-butyl ester;Z90122613;F1386-0400

Chemical Property of 2-Amino-1,3-benzothiazole-6-sulfonamide

Chemical Property:

• Vapor Pressure: 7.41E-11mmHg at 25°C
• Refractive Index: 1.755
• Boiling Point: 518.6 °C at 760 mmHg
• Flash Point: 267.4 °C
• PSA: 135.69000
• Density: 1.667 g/cm³
• LogP: 2.88820
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• 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:

97% ^*data from raw suppliers

2-Amino-benzothiazole-6-sulfonic acid amide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1S(=O)(=O)N)SC(=N2)N

Technology Process of 2-Amino-1,3-benzothiazole-6-sulfonamide

There total 12 articles about 2-Amino-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: 80.0%

potassium thioacyanate (333-20-0) + sulfanilamide (63-74-1) → 2-amino-benzothiazole-6-sulfonic acid amide (18101-58-1)

Guidance literature:

potassium thioacyanate; sulfanilamide; With bromine; acetic acid; at 0 - 10 ℃; for 3h;

With ammonium hydroxide; In water;

DOI:10.3109/14756366.2015.1128425

Reference yield: 80.0%

(4-aminosulfonylphenyl)thiourea (1718-39-4) → 2-amino-benzothiazole-6-sulfonic acid amide (18101-58-1)

Guidance literature:

With bromine; In chloroform; at 70 ℃; for 4.5h; Inert atmosphere;

DOI:10.1080/14756366.2017.1356295

Reference yield:

N-methyl-4-aminobenzenesulfonamide (1709-52-0) → 2-amino-benzothiazole-6-sulfonic acid amide (18101-58-1)

Guidance literature:

N-methyl-4-aminobenzenesulfonamide; With ammonium thiocyanate; In acetic acid; at 20 ℃; for 0.5h;

With bromine; In acetic acid; at 20 ℃; for 64h;

With sodium hydrogencarbonate; In water;

upstream raw materials:

(4-aminosulfonylphenyl)thiourea

4-amino-3-thiocyanatobenzenesulfonamide

N-(6-sulfamoylbenzo[d]thiazol-2-yl)acetamide

sodium thiocyanide

Downstream raw materials:

benzothiazole-6-sulfonic acid

1,3-benzothiazole-6-sulfonyl chloride

2-sulfanilylamino-benzothiazole-6-sulfonic acid amide

2-amino-6-sulfonamidobenzothiazole