2-Mercapto-6-nitrobenzothiazole

Base Information Edit

Chemical Name:2-Mercapto-6-nitrobenzothiazole
CAS No.:4845-58-3
Deprecated CAS:29519-08-2
Molecular Formula:C7H4 N2 O2 S2
Molecular Weight:212.253
Hs Code.:2934999090
European Community (EC) Number:678-269-4
NSC Number:2630
DSSTox Substance ID:DTXSID3063621
Nikkaji Number:J41.946J
ChEMBL ID:CHEMBL1704086
Mol file:4845-58-3.mol

Synonyms:2-Mercapto-6-nitrobenzothiazole;4845-58-3;6-Nitrobenzo[d]thiazole-2-thiol;6-Nitrobenzo[d]thiazole-2(3H)-thione;6-Nitro-2-mercaptobenzothiazole;2(3H)-Benzothiazolethione, 6-nitro-;6-Nitrobenzothiazole-2-thiol;USAF EK-3991;2-Benzothiazolinethione, 6-nitro-;6-nitro-3H-1,3-benzothiazole-2-thione;2-BENZOTHIAZOLETHIOL, 6-NITRO-;NSC 2630;6-Nitro-1,3-benzothiazole-2-thiol;C7H4N2O2S2;MLS002637636;MFCD00041850;SMR001547162;2-mercapto-6-nitro-benzothiazole;NSC2630;cid_947375;SCHEMBL1247145;CHEMBL1704086;DTXSID3063621;SCHEMBL14824474;BDBM91377;Benzothiazole-2-thiol, 6-nitro-;HMS3087H21;6-nitro-2(3h)-benzothiazolethione;WLN: T56 BN DSJ CSH GNW;NSC-2630;Benzothiazole, 2-mercapto-6-nitro-;C7-H4-N2-O2-S2;GEO-01654;STK409528;AKOS000271152;AKOS000320619;AB01885;AS-62594;LS-40836;SY038230;6-Nitro-1,3-benzothiazole-2(3H)-thione;CS-0072144;FT-0635461;N0326;EN300-03114;6-nitro-2,3-dihydro-1,3-benzothiazole-2-thione;A827536;W-200386;Z56820922;F3328-0034

Suppliers and Price of 2-Mercapto-6-nitrobenzothiazole

Supply Marketing:Edit

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

TRC
2-Mercapto-6-Nitrobenzothiazole
500mg
$ 90.00

TCI Chemical
2-Mercapto-6-nitrobenzothiazole >98.0%(HPLC)(T)
25g
$ 491.00

TCI Chemical
2-Mercapto-6-nitrobenzothiazole >98.0%(HPLC)(T)
5g
$ 165.00

Matrix Scientific
6-Nitrobenzo[d]thiazole-2-thiol 95+%
5g
$ 198.00

Frontier Specialty Chemicals
2-Mercapto-6-nitrobenzothiazole 96%
1g
$ 33.00

Frontier Specialty Chemicals
2-Mercapto-6-nitrobenzothiazole 96%
5g
$ 132.00

Crysdot
6-Nitrobenzo[d]thiazole-2(3H)-thione 97%
25g
$ 288.00

Chem-Impex
2-Mercapto-6-nitrobenzothiazole,≥98%(HPLC) ≥98%(HPLC)
5G
$ 166.40

Chemenu
6-Nitrobenzo[d]thiazole-2-thiol 97%
5g
$ 102.00

Chemenu
6-Nitrobenzo[d]thiazole-2-thiol 97%
25g
$ 272.00

Total 37 raw suppliers

Chemical Property of 2-Mercapto-6-nitrobenzothiazole Edit

Chemical Property:

Appearance/Colour:yellow powder
Vapor Pressure:5.03E-05mmHg at 25°C
Melting Point:249-253 °C
Refractive Index:1.6000 (estimate)
Boiling Point:348.4°C at 760 mmHg
PKA:7.84±0.20(Predicted)
Flash Point:164.5°C
PSA：125.75000
Density:1.62g/cm³
LogP:3.01640
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:211.97141972
Heavy Atom Count:13
Complexity:253

Purity/Quality:

97% ^*data from raw suppliers

2-Mercapto-6-Nitrobenzothiazole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T
Statements: 36/37/38-25-20
Safety Statements: 45-36/37/39-26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C1[N+](=O)[O-])SC(=S)N2

Technology Process of 2-Mercapto-6-nitrobenzothiazole

There total 4 articles about 2-Mercapto-6-nitrobenzothiazole 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: 90.0%