2-(Methylsulfonyl)-6-nitrobenzo[d]thiazole

Base Information

Chemical Name:2-(Methylsulfonyl)-6-nitrobenzo[d]thiazole
CAS No.:21554-41-6
Molecular Formula:C8H6N2O4S2
Molecular Weight:258.2742
Hs Code.:
NSC Number:202568
DSSTox Substance ID:DTXSID80308157
Nikkaji Number:J10.789A
Wikidata:Q82055872
Mol file:21554-41-6.mol

Synonyms:2-(Methylsulfonyl)-6-nitrobenzo[d]thiazole;21554-41-6;2-Methylsulfonyl-6-nitrobenzothiazole;NSC202568;2-(METHYLSULFONYL)-6-NITROBENZOTHIAZOLE;SCHEMBL11823594;DTXSID80308157;STK541963;AKOS005471662;NSC-202568;Methyl-6-nitrobenzo-thiazolyl-2-sulfone;2-methyl sulfonyl 6-nitro benzo thiazole;Benzothiazole, 2-(methylsulfonyl)-6-nitro-;CS-0336429;2-(methylsulfonyl)-6-nitro-1,3-benzothiazole

Suppliers and Price of 2-(Methylsulfonyl)-6-nitrobenzo[d]thiazole

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

Crysdot
2-(Methylsulfonyl)-6-nitrobenzo[d]thiazole 97%
1g
$ 635.00

American Custom Chemicals Corporation
2-(METHYLSULFONYL)-6-NITROBENZOTHIAZOLE 95.00%
5MG
$ 505.05

Alichem
2-(Methylsulfonyl)-6-nitrobenzo[d]thiazole
1g
$ 548.02

Total 8 raw suppliers

Chemical Property of 2-(Methylsulfonyl)-6-nitrobenzo[d]thiazole

Chemical Property:

Vapor Pressure:3E-08mmHg at 25°C
Boiling Point:461.2°Cat760mmHg
Flash Point:232.8°C
PSA：129.47000
Density:1.615g/cm³
LogP:3.21200
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:257.97689902
Heavy Atom Count:16
Complexity:386

Purity/Quality:

99% ^*data from raw suppliers

2-(Methylsulfonyl)-6-nitrobenzo[d]thiazole 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CS(=O)(=O)C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Technology Process of 2-(Methylsulfonyl)-6-nitrobenzo[d]thiazole

There total 5 articles about 2-(Methylsulfonyl)-6-nitrobenzo[d]thiazole 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: 86.0%

: 3621-99-6
2-methylthio-6-nitrobenzothiazole

: 21554-41-6
2-(methylsulfonyl)-6-nitrobenzo[d]thiazole

Guidance literature:: With sodium tungstate (VI) dihydrate; dihydrogen peroxide; In ethanol; water; at 0 - 20 ℃; for 18h; Inert atmosphere;
DOI:10.1021/jacs.9b08831

Reference yield: 66.0%

: 3621-99-6
2-methylthio-6-nitrobenzothiazole

: 21554-41-6
2-(methylsulfonyl)-6-nitrobenzo[d]thiazole

: 3779-13-3
2-(methylsulfinyl)-6-nitrobenzo[d]thiazole

Guidance literature:: With sodium tungstate (VI) dihydrate; dihydrogen peroxide; In ethanol; water; at 0 - 20 ℃; for 46h; Inert atmosphere;
DOI:10.1021/jacs.9b08831

Reference yield:

: 4845-58-3
6-nitrobenzo[d]thiazole-2(3H)-thione

: 21554-41-6
2-(methylsulfonyl)-6-nitrobenzo[d]thiazole

Guidance literature:: Multi-step reaction with 2 steps

1: NaOH; aqueous O-butyl-diethylene glycol

2: acetic acid; aqueous KMnO₄

With sodium hydroxide; potassium permanganate; Diethylene glycol monobutyl ether; acetic acid;
DOI:10.1021/ja01196a024