Carbamothioic acid, (4-methylphenyl)-, S-methyl ester

Base Information

• Chemical Name: Carbamothioic acid, (4-methylphenyl)-, S-methyl ester
• CAS No.: 61578-87-8
• Molecular Formula: C9H11NOS
• Molecular Weight: 181.258
• DSSTox Substance ID: DTXSID30464030
• Nikkaji Number: J2.823.119I
• Wikidata: Q82289204
• Mol file: 61578-87-8.mol

Synonyms:61578-87-8;Carbamothioic acid, (4-methylphenyl)-, S-methyl ester;DTXSID30464030

Chemical Property of Carbamothioic acid, (4-methylphenyl)-, S-methyl ester

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 181.05613515
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=O)SC

Technology Process of Carbamothioic acid, (4-methylphenyl)-, S-methyl ester

There total 8 articles about Carbamothioic acid, (4-methylphenyl)-, S-methyl 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: 94.0%

4-methyl-2-(methylthio)-3-(2-(3-p-tolylureido)phenyl)thiazol-3-ium iodide (1220704-68-6) → 3-methylthiazolo[3,2-a]benzoimidazole (5268-73-5) + S-methyl N-(4-methylphenyl)thiocarbamate (61578-87-8)

Guidance literature:

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

DOI:10.1016/j.tet.2010.01.020

Reference yield: 87.0%

methyl O-methyldithiocarbonate (19708-81-7) + p-toluidine (106-49-0,12221-03-3) → S-methyl N-(4-methylphenyl)thiocarbamate (61578-87-8)

Guidance literature:

With triethyl(methyl)ammonium S-methyl carbonodithioate; at 45 ℃; neat (no solvent);

DOI:10.1055/s-0029-1219226

Reference yield: 59.0%

p-Tolylisocyanate (622-58-2,374675-64-6) + methyl iodide (74-88-4) → S-methyl N-(4-methylphenyl)thiocarbamate (61578-87-8)

Guidance literature:

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

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

DOI:10.1002/hc.10163

upstream raw materials:

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

sulfuric acid

p-Tolylisocyanate

methyl iodide

Downstream raw materials:

methylthiol

p-tolylurea