Carbamimidothioic acid, [2-(trifluoromethyl)phenyl]-, ethyl ester

Base Information

Chemical Name:Carbamimidothioic acid, [2-(trifluoromethyl)phenyl]-, ethyl ester
CAS No.:89070-00-8
Molecular Formula:C₁₀H₁₁F₃N₂S
Molecular Weight:248.272
Hs Code.:
DSSTox Substance ID:DTXSID50441484
Nikkaji Number:J847.955K
ChEMBL ID:CHEMBL499881

Synonyms:CHEMBL499881;CHEMBL542856;89070-00-8;Carbamimidothioic acid, [2-(trifluoromethyl)phenyl]-, ethyl ester;ethyl N'-[2-(trifluoromethyl)phenyl]carbamimidothioate;SCHEMBL1387410;DTXSID50441484;XAEUDEGRGXDPHH-UHFFFAOYSA-N;BDBM50058458;1-[2-(Trifluoromethyl)phenyl]-2-ethylisothiourea;2-Ethyl-1-(2-trifluoromethyl-phenyl)-isothiourea;hydrochloride

Suppliers and Price of Carbamimidothioic acid, [2-(trifluoromethyl)phenyl]-, 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

Total 1 raw suppliers

Chemical Property of Carbamimidothioic acid, [2-(trifluoromethyl)phenyl]-, ethyl ester

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:248.05950402
Heavy Atom Count:16
Complexity:253

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCSC(=NC1=CC=CC=C1C(F)(F)F)N

Technology Process of Carbamimidothioic acid, [2-(trifluoromethyl)phenyl]-, ethyl ester

There total 3 articles about Carbamimidothioic acid, [2-(trifluoromethyl)phenyl]-, 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:

: 63494-72-4
N-((2-(trifluoromethyl)phenyl)carbamothioyl)benzamide

: 89070-00-8
N-(2-trifluoromethylphenyl)-S-ethylisothiourea

Guidance literature:: Multi-step reaction with 2 steps

1: 2.0 N OH / tetrahydrofuran / 3 h / Heating

2: acetone / Heating

With hydroxide; In tetrahydrofuran; acetone;
DOI:10.1021/jm960785c

Reference yield:

: 88-17-5
2-(trifluoromethyl)benzenamine

: 89070-00-8
N-(2-trifluoromethylphenyl)-S-ethylisothiourea

Guidance literature:: Multi-step reaction with 3 steps

1: acetone / Ambient temperature

2: 2.0 N OH / tetrahydrofuran / 3 h / Heating

3: acetone / Heating

With hydroxide; In tetrahydrofuran; acetone;
DOI:10.1021/jm960785c