BENZOTHIAZOLE, 2-(tert-BUTYLTHIO)-

Base Information

Chemical Name:BENZOTHIAZOLE, 2-(tert-BUTYLTHIO)-
CAS No.:39543-16-3
Molecular Formula:C11H13 N S2
Molecular Weight:223.363
Hs Code.:2934999090
NSC Number:202404
UNII:DJP3029XXT
DSSTox Substance ID:DTXSID70192663
Nikkaji Number:J41.960E
Wikidata:Q83065323
Mol file:39543-16-3.mol

Synonyms:39543-16-3;BENZOTHIAZOLE, 2-(tert-BUTYLTHIO)-;2-tert-Butylthiobenzothiazole;2-(tert-Butylthio)benzothiazole;NSC 202404;BRN 1211328;DJP3029XXT;Benzothiazole, 2-((1,1-dimethylethyl)thio)-;NSC-202404;Benzothiazole, 2-[(1,1-dimethylethyl)thio]-;NSC202404;2-(tert-butylsulfanyl)-1,3-benzothiazole;UNII-DJP3029XXT;SCHEMBL5962402;DTXSID70192663;Benzothiazole,1-dimethylethyl)thio]-;WLN: T56 BN DSJ CSX1&1&1;LS-40700;2-((1,1-DIMETHYLETHYL)THIO)BENZOTHIAZOLE

Suppliers and Price of BENZOTHIAZOLE, 2-(tert-BUTYLTHIO)-

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-[(1,1-DIMETHYLETHYL)THIO]BENZOTHIAZOLE 95.00%
5MG
$ 505.98

Total 6 raw suppliers

Chemical Property of BENZOTHIAZOLE, 2-(tert-BUTYLTHIO)-

Chemical Property:

Vapor Pressure:0.000432mmHg at 25°C
Boiling Point:325.6°Cat760mmHg
Flash Point:150.7°C
PSA：66.43000
Density:1.19g/cm³
LogP:4.18690
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:223.04894177
Heavy Atom Count:14
Complexity:200

Purity/Quality:

99% ^*data from raw suppliers

2-[(1,1-DIMETHYLETHYL)THIO]BENZOTHIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)SC1=NC2=CC=CC=C2S1

Technology Process of BENZOTHIAZOLE, 2-(tert-BUTYLTHIO)-

There total 9 articles about BENZOTHIAZOLE, 2-(tert-BUTYLTHIO)- 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: 99.0%

: 75-66-1
2-methylpropan-2-thiol

: 116928-25-7
benzo[d]thiazol-2-yltriphenylphosphonium trifluoromethanesulfonate

: 39543-16-3
2-(tert-butylthio)benzo[d]thiazole

Guidance literature:: 2-methylpropan-2-thiol; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.5h; Inert atmosphere;

benzo[d]thiazol-2-yltriphenylphosphonium trifluoromethanesulfonate; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;
DOI:10.1039/d0ob00684j

Reference yield: 82.0%

: 95-16-9
1,3-Benzothiazole

: 110-06-5
di-tert-butyl disulfide

: 39543-16-3
2-(tert-butylthio)benzo[d]thiazole

Guidance literature:: With copper(II) oxide; potassium carbonate; In N,N-dimethyl-formamide; at 140 ℃; for 48h; Inert atmosphere; Schlenk technique;
DOI:10.1002/adsc.201300497

Reference yield: 79.0%

: 75-15-0,12122-00-8
carbon disulfide

: 615-43-0
2-iodophenylamine

: 75-66-1
2-methylpropan-2-thiol

: 39543-16-3
2-(tert-butylthio)benzo[d]thiazole

Guidance literature:: carbon disulfide; 2-methylpropan-2-thiol; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

2-iodophenylamine; With copper(I) bromide; In N,N-dimethyl-formamide; at 110 ℃; for 6h;
DOI:10.1021/jo200535e