2-((4-Nitrophenyl)thio)benzothiazole

Base Information

Chemical Name:2-((4-Nitrophenyl)thio)benzothiazole
CAS No.:19387-54-3
Molecular Formula:C13H8 N2 O2 S2
Molecular Weight:288.351
Hs Code.:
European Community (EC) Number:243-012-3
DSSTox Substance ID:DTXSID60172999
Nikkaji Number:J242.792C
Wikidata:Q83043094
Mol file:19387-54-3.mol

Synonyms:2-((4-Nitrophenyl)thio)benzothiazole;19387-54-3;2-[(4-nitrophenyl)thio]benzothiazole;2-(4-nitrophenyl)sulfanyl-1,3-benzothiazole;EINECS 243-012-3;C13H8N2O2S2;2-[(4-nitrophenyl)thio]-1,3-benzothiazole;2-((4-NITROPHENYL)THIO)-1,3-BENZOTHIAZOLE;2-({4-nitrophenyl}sulfanyl)-1,3-benzothiazole;SCHEMBL11341135;DTXSID60172999;2-(4-Nitrophenylthio)benzothiazole;2-p-Nitrophenylsulfanyl-benzothiazole;C13-H8-N2-O2-S2;AKOS001590222;Benzothiazole, 2-((4-nitrophenyl)thio)-;EU-0000353;AH-034/33492052;SR-01000391064;SR-01000391064-1

Suppliers and Price of 2-((4-Nitrophenyl)thio)benzothiazole

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 4 raw suppliers

Chemical Property of 2-((4-Nitrophenyl)thio)benzothiazole

Chemical Property:

Vapor Pressure:3.18E-09mmHg at 25°C
Melting Point:95-96 °C
Boiling Point:488.7°C at 760 mmHg
PKA:-0.27±0.10(Predicted)
Flash Point:249.3°C
PSA：112.25000
Density:1.49g/cm³
LogP:4.87890
XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:288.00271985
Heavy Atom Count:19
Complexity:329

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)N=C(S2)SC3=CC=C(C=C3)[N+](=O)[O-]

Technology Process of 2-((4-Nitrophenyl)thio)benzothiazole

There total 15 articles about 2-((4-Nitrophenyl)thio)benzothiazole 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: 92.0%

: 636-98-6
p-nitrobenzene iodide

: 149-30-4,118090-09-8
2-Mercaptobenzothiazole

: 19387-54-3
2-((4-nitrophenyl) thio)-1,3-benzothiazole

Guidance literature:: With 2,2'-biimidazole; copper(II) acetate monohydrate; caesium carbonate; In dimethyl sulfoxide; at 80 ℃; for 3h; chemoselective reaction; Schlenk technique; Inert atmosphere;
DOI:10.1002/cjoc.201300830

Reference yield: 92.0%

: 636-98-6
p-nitrobenzene iodide

: 1082738-80-4
triethylammonium o-iodophenyl dithiocarbamate salt

: 19387-54-3
2-((4-nitrophenyl) thio)-1,3-benzothiazole

Guidance literature:: With copper(l) iodide; potassium carbonate; rac-diaminocyclohexane; In dimethyl sulfoxide; at 90 ℃; for 4h;
DOI:10.1021/ol9017535

Reference yield: 89.0%

: 149-30-4,118090-09-8
2-Mercaptobenzothiazole

: 350-46-9,178603-76-4
4-Fluoronitrobenzene

: 19387-54-3
2-((4-nitrophenyl) thio)-1,3-benzothiazole

Guidance literature:: With copper(ll) sulfate pentahydrate; sodium carbonate; sodium L-ascorbate; L-proline; In water; dimethyl sulfoxide; at 70 ℃; for 12h;
DOI:10.1016/j.tet.2010.07.032