N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide

Base Information

Chemical Name:N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide
CAS No.:31430-37-2
Molecular Formula:C13H10 Br N3 O S
Molecular Weight:336.207
Hs Code.:2933399090
DSSTox Substance ID:DTXSID80408489
Nikkaji Number:J228.144I
NSC Number:167894
Mol file:31430-37-2.mol

Synonyms:31430-37-2;N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide;NSC167894;DTXSID80408489;NSC-167894

Suppliers and Price of N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide

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 2 raw suppliers

Chemical Property of N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide

Chemical Property:

Melting Point:164-168 °C
Boiling Point:°Cat760mmHg
PKA:8.17±0.70(Predicted)
Flash Point:°C
PSA：86.11000
Density:1.616g/cm³
LogP:3.43480
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:334.97280
Heavy Atom Count:19
Complexity:334

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Br

Technology Process of N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide

There total 2 articles about N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide 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:

: 1072-97-5
5-bromo-2-pyridylamine

: 532-55-8
Benzoyl isothiocyanate

: 31430-37-2
N-(5'-bromo-2'-pyridyl)-N'-benzoylthiourea

Guidance literature:: In ethanol; at 40 ℃; for 0.25h;
DOI:10.1002/jhet.5570400210

Reference yield:

: 31430-37-2
N-(5'-bromo-2'-pyridyl)-N'-benzoylthiourea

Guidance literature:: Benzoylchlorid, 1. NH4SCN, 2. 2-Amino-5-brompyridin;

Reference yield: 100.0%

: 31430-37-2
N-(5'-bromo-2'-pyridyl)-N'-benzoylthiourea

: N-(6-bromo-[1,2,4]thiadiazolo[2,3-a]pyridilydene)benzamide

Guidance literature:: With potassium hydroxide; potassium hexacyanoferrate(III); In water; at 20 ℃; for 5h; Further Variations:; Reagents; Solvents; Product distribution;
DOI:10.1002/jhet.5570400210