6-Bromo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

Base Information

Chemical Name:6-Bromo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
CAS No.:49681-96-1
Molecular Formula:C8H5BrN2OS
Molecular Weight:257.1071
Hs Code.:2933990090
DSSTox Substance ID:DTXSID60357042
Nikkaji Number:J790.259J
Wikidata:Q82136735
Mol file:49681-96-1.mol

Synonyms:6-Bromo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one;49681-96-1;6-bromo-2-sulfanylidene-1H-quinazolin-4-one;6-bromo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one;SCHEMBL1396317;6-bromo-2-thioxo-4-quinazolone;HZLUVUSKGFGJGS-UHFFFAOYSA-;DTXSID60357042;HZLUVUSKGFGJGS-UHFFFAOYSA-N;ZBA68196;6-bromo-2-mercapto-quinazolin-4-ol;MFCD08706211;AKOS003232125;AS-67786;CS-0227465;W13341;InChI=1/C8H5BrN2OS/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)

Suppliers and Price of 6-Bromo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

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
6-bromo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one 95+%
1g
$ 762.00

Chemenu
6-bromo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one 95%
1g
$ 720.00

American Custom Chemicals Corporation
6-BROMO-2-THIOXO-2,3-DIHYDROQUINAZOLIN-4(1H)-ONE 95.00%
5MG
$ 499.96

Alichem
6-bromo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
1g
$ 675.80

Total 7 raw suppliers

Chemical Property of 6-Bromo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

Chemical Property:

Melting Point:323-325 °C(Solv: water (7732-18-5))
PKA:8.50±0.20(Predicted)
PSA：80.74000
Density:1.90±0.1 g/cm3(Predicted)
LogP:2.34820
Storage Temp.:2-8°C
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:255.93060
Heavy Atom Count:13
Complexity:259

Purity/Quality:

99% ^*data from raw suppliers

6-bromo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C1Br)C(=O)NC(=S)N2

Technology Process of 6-Bromo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one

There total 14 articles about 6-Bromo-2-thioxo-2,3-dihydroquinazolin-4(1H)-one 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: 100.0%

: 1189797-82-7
ethyl 6-bromo-4-oxo-2-thioxo-1,4-dihydroquinazoline-3(2H)-carboxylate

: 49681-96-1
6-bromo-2,3-dihydro-2-thioxo-quinazolin-4(3H)-one

Guidance literature:: ethyl 6-bromo-4-oxo-2-thioxo-1,4-dihydroquinazoline-3(2H)-carboxylate; With sodium methylate; In tetrahydrofuran; methanol; for 1.5h; Reflux;

With water; In ethanol; for 0.5h; Reflux;
DOI:10.1016/j.bmc.2010.11.050

Reference yield: 86.0%

: 17356-08-0
thiourea

: 5794-88-7
5-Bromo-2-aminobenzoic acid

: 49681-96-1
6-bromo-2,3-dihydro-2-thioxo-quinazolin-4(3H)-one

Guidance literature:: 5-Bromo-2-aminobenzoic acid; With triethylamine; In butan-1-ol; at 60 - 70 ℃; for 0.5h; Green chemistry;

thiourea; In butan-1-ol; at 110 - 115 ℃; for 5h; Green chemistry;