N-(4-Fluorophenyl)-2-sulfanylbenzamide

Base Information

Chemical Name:N-(4-Fluorophenyl)-2-sulfanylbenzamide
CAS No.:628702-17-0
Molecular Formula:C13H10FNOS
Molecular Weight:247.2880032
Hs Code.:
DSSTox Substance ID:DTXSID40447334
Nikkaji Number:J3.371.999J
Wikidata:Q82266195
Mol file:628702-17-0.mol

Synonyms:N-(4-Fluorophenyl)-2-sulfanylbenzamide;628702-17-0;DTXSID40447334;N-(4-Fluorophenyl)-2-mercaptobenzamide

Suppliers and Price of N-(4-Fluorophenyl)-2-sulfanylbenzamide

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 1 raw suppliers

Chemical Property of N-(4-Fluorophenyl)-2-sulfanylbenzamide

Chemical Property:

Melting Point:129.5-131 °C
Boiling Point:305.4±27.0 °C(Predicted)
PKA:5.89±0.43(Predicted)
PSA：67.90000
Density:1.335±0.06 g/cm3(Predicted)
LogP:3.43970
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:247.04671328
Heavy Atom Count:17
Complexity:266

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of N-(4-Fluorophenyl)-2-sulfanylbenzamide

There total 2 articles about N-(4-Fluorophenyl)-2-sulfanylbenzamide 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: 82.0%

: 371-40-4
4-fluoroaniline

: 4892-02-8
Methyl thiosalicylate

: 628702-17-0
N-(4-fluorophenyl)-2-mercaptobenzamide

Guidance literature:: 4-fluoroaniline; With trimethylaluminum; In hexane; dichloromethane; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

Methyl thiosalicylate; In hexane; dichloromethane; for 12h; Inert atmosphere; Reflux;
DOI:10.1021/jo401056g