S-Ethyl (4-methylphenyl)carbamothioate

Base Information

• Chemical Name: S-Ethyl (4-methylphenyl)carbamothioate
• CAS No.: 121781-91-7
• Molecular Formula: C10H13NOS
• Molecular Weight: 195.285
• DSSTox Substance ID: DTXSID80558498
• Wikidata: Q82440826
• Mol file: 121781-91-7.mol

Synonyms:121781-91-7;S-Ethyl (4-methylphenyl)carbamothioate;DTXSID80558498

Chemical Property of S-Ethyl (4-methylphenyl)carbamothioate

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 195.07178521
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC(=O)NC1=CC=C(C=C1)C

Technology Process of S-Ethyl (4-methylphenyl)carbamothioate

There total 7 articles about S-Ethyl (4-methylphenyl)carbamothioate 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%

2-(ethylthio)-4-methyl-3-(2-(3-p-tolylureido)phenyl)thiazol-3-ium iodide (1220704-73-3) → 3-methylthiazolo[3,2-a]benzoimidazole (5268-73-5) + S-ethyl N-(4-methylphenyl)thiocarbamate (121781-91-7)

Guidance literature:

With triethylamine; In acetonitrile; at 20 ℃; for 0.25h;

DOI:10.1016/j.tet.2010.01.020

Reference yield: 51.0%

p-Tolylisocyanate (622-58-2,374675-64-6) + ethyl iodide (75-03-6) → S-ethyl N-(4-methylphenyl)thiocarbamate (121781-91-7)

Guidance literature:

p-Tolylisocyanate; With LiAlHSH; In tetrahydrofuran; at 20 ℃; for 1h;

ethyl iodide; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1002/hc.10163

Reference yield:

S-ethyl-N,N'-di-p-tolyl-isothiourea (20584-08-1) → S-ethyl N-(4-methylphenyl)thiocarbamate (121781-91-7)

Guidance literature:

With sulfuric acid; at 200 ℃;

upstream raw materials:

S-ethyl-N,N'-di-p-tolyl-isothiourea

p-toluidine

Ethyl chlorothioformate

p-Tolylisocyanate

Downstream raw materials:

p-Tolylisocyanate

ethanethiol