3-nitro-N-(phenylcarbamothioyl)benzamide

Base Information

Chemical Name:3-nitro-N-(phenylcarbamothioyl)benzamide
CAS No.:59849-17-1
Molecular Formula:C14H11N3O3S
Molecular Weight:301.326
Hs Code.:
DSSTox Substance ID:DTXSID10359490
Nikkaji Number:J1.703.478B
Wikidata:Q82140717

Synonyms:3-nitro-N-(phenylcarbamothioyl)benzamide;59849-17-1;DTXSID10359490;STK060739;AKOS000492538

Suppliers and Price of 3-nitro-N-(phenylcarbamothioyl)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

Aronis compounds
N-(anilinocarbonothioyl)-3-nitrobenzamide
20mg
$ 30.00

Total 0 raw suppliers

Chemical Property of 3-nitro-N-(phenylcarbamothioyl)benzamide

Chemical Property:

PSA：129.57000
LogP:4.04010
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:301.05211239
Heavy Atom Count:21
Complexity:405

Purity/Quality:: N-(anilinocarbonothioyl)-3-nitrobenzamide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Technology Process of 3-nitro-N-(phenylcarbamothioyl)benzamide

There total 5 articles about 3-nitro-N-(phenylcarbamothioyl)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: 65.0%

: 1147550-11-5
ammonium thiocyanate

: 62-53-3
aniline

: 121-90-4
m-nitrobenzoic acid chloride

: 59849-17-1
1-(m-nitrobenzoyl)-3-phenylthiourea

Guidance literature:: ammonium thiocyanate; m-nitrobenzoic acid chloride; In acetone; at 30 ℃; for 0.166667h;

aniline; In acetone; for 0.166667h; Further stages.; Heating;
DOI:10.1039/b102029n

Reference yield: 52.0%

: 1132-44-1
1-acetyl-3-phenylthiourea

: 121-90-4
m-nitrobenzoic acid chloride

: 59849-17-1
1-(m-nitrobenzoyl)-3-phenylthiourea

Guidance literature:: In acetone; for 3h; Heating;

Reference yield:

: 121-92-6
3-nitrobenzoic acid

: 59849-17-1
1-(m-nitrobenzoyl)-3-phenylthiourea

Guidance literature:: Multi-step reaction with 2 steps

1.1: SOCl₂ / 5.5 h / Heating

2.1: acetone / 0.17 h / 30 °C

2.2: 65 percent / acetone / 0.17 h / Heating

With thionyl chloride; In acetone;
DOI:10.1039/b102029n