Benzenecarbothioic acid, 4-nitro-, S-ethyl ester

Base Information

Chemical Name:Benzenecarbothioic acid, 4-nitro-, S-ethyl ester
CAS No.:24524-95-6
Molecular Formula:C9H9NO3S
Molecular Weight:211.241
Hs Code.:
DSSTox Substance ID:DTXSID00407510
Nikkaji Number:J105.140G
Wikidata:Q82212793
Mol file:24524-95-6.mol

Synonyms:24524-95-6;Benzenecarbothioic acid, 4-nitro-, S-ethyl ester;S-(p-Nitrobenzoyl)mercaptoethane;S-ethyl 4-nitrobenzenecarbothioate;DTXSID00407510;AKOS015833488;4-Nitro-thiobenzoic acid S-ethyl ester

Suppliers and Price of Benzenecarbothioic acid, 4-nitro-, S-ethyl ester

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

Atlantic Research Chemicals
S-(p-Nitrobenzoyl)mercaptoethane 95%
1gm:
$ 180.26

American Custom Chemicals Corporation
S-(PARA-NITROBENZOYL)MERCAPTOETHANE 95.00%
5G
$ 892.82

American Custom Chemicals Corporation
S-(PARA-NITROBENZOYL)MERCAPTOETHANE 95.00%
1G
$ 156.45

Total 6 raw suppliers

Chemical Property of Benzenecarbothioic acid, 4-nitro-, S-ethyl ester

Chemical Property:

PSA：88.19000
LogP:3.01130
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:211.03031432
Heavy Atom Count:14
Complexity:219

Purity/Quality:

98%Min ^*data from raw suppliers

S-(p-Nitrobenzoyl)mercaptoethane 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCSC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of Benzenecarbothioic acid, 4-nitro-, S-ethyl ester

There total 2 articles about Benzenecarbothioic acid, 4-nitro-, S-ethyl ester 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: 68.0%

: 122-04-3
4-nitro-benzoyl chloride

: 75-08-1
ethanethiol

: 24524-95-6
S-(p-nitrobenzoyl)mercaptoethane

Guidance literature:: With triethylamine; In hexane; at 0 - 20 ℃;
DOI:10.1021/ja005613q

Reference yield:

: 74-96-4
ethyl bromide

: 24524-95-6
S-(p-nitrobenzoyl)mercaptoethane

Guidance literature:: With ethanol;
DOI:10.1021/ja01334a041

Reference yield: 85.0%

: 24524-95-6
S-(p-nitrobenzoyl)mercaptoethane

: 94839-07-3
3,4-(methylenedioxy)-benzeneboronic acid

: 3,4-methylenedioxyphenyl-4-nitrophenylketone

Guidance literature:: With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; copper(I) thiophene-2-carboxylate; trifuran-2-yl-phosphane; In tetrahydrofuran; at 50 ℃; for 18h;
DOI:10.1021/ja005613q