Benzothiazolium, 2,5-dimethyl-3-(3-sulfopropyl)-, inner salt

Base Information

Chemical Name:Benzothiazolium, 2,5-dimethyl-3-(3-sulfopropyl)-, inner salt
CAS No.:65287-01-6
Molecular Formula:C12H15 N O3 S2
Molecular Weight:285.388
Hs Code.:
European Community (EC) Number:265-674-2
DSSTox Substance ID:DTXSID4070291
Wikidata:Q81997535
ChEMBL ID:CHEMBL1415592

Synonyms:Benzothiazolium, 2,5-dimethyl-3-(3-sulfopropyl)-, inner salt;65287-01-6;3-(2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate;EINECS 265-674-2;2,5-Dimethyl-3-(3'-sulfopropyl)benzothiazolium betaine;Anhydro-2,5-dimethyl-3-(3-sulfopropyl)benzothiazolium hydroxide;Anhydro-2,5-dimethyl-3-(gamma-sulfopropyl)benzothiazolium hydroxide;Benzothiazolium, 2,5-dimethyl-3-(3-sulfopropyl)-, hydroxide, inner salt;BAS 00107527;MLS000693188;CHEMBL1415592;DTXSID4070291;HMS2602K21;MFCD00182866;STK396351;AKOS000546617;NCGC00245008-01;SMR000284621;2,5-Dimethyl-3-(3-sulphonatopropyl)benzothiazolium

Suppliers and Price of Benzothiazolium, 2,5-dimethyl-3-(3-sulfopropyl)-, inner salt

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

Total 3 raw suppliers

Chemical Property of Benzothiazolium, 2,5-dimethyl-3-(3-sulfopropyl)-, inner salt

Chemical Property:

Melting Point:253 °C
PSA：97.70000
LogP:2.82170
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:285.04933569
Heavy Atom Count:18
Complexity:366

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC2=C(C=C1)SC(=[N+]2CCCS(=O)(=O)[O-])C

Technology Process of Benzothiazolium, 2,5-dimethyl-3-(3-sulfopropyl)-, inner salt

There total 2 articles about Benzothiazolium, 2,5-dimethyl-3-(3-sulfopropyl)-, inner salt 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: 94.0%

: 1120-71-4
1,3-propanesultone

: 95-26-1
2,5-dimethylbenzothiazole

: 65287-01-6
3-(2,5-dimethylbenzo[d]thiazol-3-ium-3-yl)propane-1-sulfonate

Guidance literature:: In 1-methyl-pyrrolidin-2-one; at 145 ℃; for 3h; Inert atmosphere;
DOI:10.1039/d1tc01257f

Reference yield:

: 65287-01-6
3-(2,5-dimethylbenzo[d]thiazol-3-ium-3-yl)propane-1-sulfonate

Guidance literature:: 2,5-Dimethylbenzthiazol,3-Hydroxy-1-propansulfonsaeure,od.zusaetzlich Essigsaeureanhydrid,od.Na bzw.K-3-Hydroxy-1-propansulfonat;