2-Mercapto-benzothiazole-6-carboxylic acid

Base Information

Chemical Name:2-Mercapto-benzothiazole-6-carboxylic acid
CAS No.:84092-99-9
Molecular Formula:C₈H₅NO₂S₂
Molecular Weight:211.265
Hs Code.:2934999090
DSSTox Substance ID:DTXSID60354571
Mol file:84092-99-9.mol

Synonyms:84092-99-9;2-Mercapto-benzothiazole-6-carboxylic acid;2-Thioxo-2,3-dihydrobenzo[d]thiazole-6-carboxylic acid;2-MERCAPTOBENZO[D]THIAZOLE-6-CARBOXYLIC ACID;6-Benzothiazolecarboxylic acid, 2,3-dihydro-2-thioxo-;2-Sulfanyl-1,3-benzothiazole-6-carboxylic acid;Oprea1_667210;SCHEMBL6267261;2-sulfanylidene-3H-1,3-benzothiazole-6-carboxylic acid;DTXSID60354571;GJZGGNOKWQKDIY-UHFFFAOYSA-N;STK378117;AKOS005448316;AB09142;6-benzothiazolecarboxylic acid,2-mercapto-;C90552;2-Sulfanyl-1,3-benzothiazole-6-carboxylic acid #;SR-01000522268;SR-01000522268-1

Suppliers and Price of 2-Mercapto-benzothiazole-6-carboxylic acid

Supply Marketing:

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
2-MERCAPTOBENZO[D]THIAZOLE-6-CARBOXYLIC ACID 95.00%
5MG
$ 505.68

Total 5 raw suppliers

Chemical Property of 2-Mercapto-benzothiazole-6-carboxylic acid

Chemical Property:

PSA：117.23000
LogP:2.28320
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:210.97617075
Heavy Atom Count:13
Complexity:257

Purity/Quality:

98%min ^*data from raw suppliers

2-MERCAPTOBENZO[D]THIAZOLE-6-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C1C(=O)O)SC(=S)N2

Technology Process of 2-Mercapto-benzothiazole-6-carboxylic acid

There total 3 articles about 2-Mercapto-benzothiazole-6-carboxylic 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:

Reference yield:

: 140-89-6
potassium ethyl xanthogenate

: 1571-66-0
4-amino-3-mercaptobenzoic acid hydrochloride

: 84092-99-9
2-mercaptobenzo[d]thiazole-6-carboxylic acid

Guidance literature:: 4-amino-3-mercaptobenzoic acid hydrochloride; With potassium hydroxide; In water; at 20 ℃; for 4h; pH=Ca. 7 - 8; Inert atmosphere;

potassium ethyl xanthogenate; In ethanol; water; at 100 - 105 ℃; for 3h; Inert atmosphere; Darkness;

With hydrogenchloride; In ethanol; water; at 20 ℃; for 0.25h;
DOI:10.1021/jacs.9b08831

Reference yield:

: 93-85-6
2-aminobenzothiazole-6-carboxylic acid

: 84092-99-9
2-mercaptobenzo[d]thiazole-6-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: potassium hydroxide / water / 4 h / 20 - 105 °C / Inert atmosphere; Darkness; Reflux

1.2: 0.25 h / 0 °C / pH Ca_. 3 / Inert atmosphere

2.1: potassium hydroxide / water / 4 h / 20 °C / pH Ca_. 7 - 8 / Inert atmosphere

2.2: 3 h / 100 - 105 °C / Inert atmosphere; Darkness

2.3: 0.25 h / 20 °C

With potassium hydroxide; In water;
DOI:10.1021/jacs.9b08831