3-(Ethylthio)benzoic acid

Base Information

Chemical Name:3-(Ethylthio)benzoic acid
CAS No.:5537-74-6
Molecular Formula:C9H10O2S
Molecular Weight:182.243
Hs Code.:
European Community (EC) Number:874-619-7
NSC Number:113991
UNII:X097NKH6Y5
DSSTox Substance ID:DTXSID00203918
Wikidata:Q83077360

Synonyms:3-(Ethylthio)benzoic acid;3-(ethylsulfanyl)benzoic acid;5537-74-6;3-ethylsulfanylbenzoic acid;NSC113991;X097NKH6Y5;NSC-113991;NSC 113991;3-(Ethylthio)benzoicacid;UNII-X097NKH6Y5;Benzoic acid, 3-(ethylthio)-;SCHEMBL1991282;DTXSID00203918;AKOS013491875;BENZOIC ACID, M-(ETHYLTHIO)-;AT22915;BENZOIC ACID, M-(ETHYLMERCAPTO)-;EN300-122001;Z1201631366

Suppliers and Price of 3-(Ethylthio)benzoic acid

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 5 raw suppliers

Chemical Property of 3-(Ethylthio)benzoic acid

Chemical Property:

Vapor Pressure:6E-05mmHg at 25°C
Boiling Point:332°C at 760 mmHg
Flash Point:154.6°C
Density:1.23g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:182.04015073
Heavy Atom Count:12
Complexity:159

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCSC1=CC=CC(=C1)C(=O)O

Technology Process of 3-(Ethylthio)benzoic acid

There total 6 articles about 3-(Ethylthio)benzoic acid 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: 96.0%

: 4869-59-4
3-mercapto benzoic acid

: 75-03-6
ethyl iodide

: 5537-74-6
3-ethylsulfanylbenzoic acid

Guidance literature:: With sodium hydroxide; In ethanol; at 20 ℃; for 15h;
DOI:10.1002/anie.201603746

Reference yield: 69.0%

: 74-96-4
ethyl bromide

: 4869-59-4
3-mercapto benzoic acid

: 5537-74-6
3-ethylsulfanylbenzoic acid

Guidance literature:: With sodium hydroxide; In ethanol; water; at 60 ℃; for 12h;
DOI:10.1021/acs.jmedchem.0c01564

Reference yield: 66.0%

: 585-76-2
m-bromobenzoic acid

: 75-08-1
ethanethiol

: 5537-74-6
3-ethylsulfanylbenzoic acid

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; for 6h; Inert atmosphere; Reflux;
DOI:10.1016/j.ejmech.2016.08.015