O-Ethyl (4-fluorophenyl)carbamothioate

Base Information

• Chemical Name: O-Ethyl (4-fluorophenyl)carbamothioate
• CAS No.: 404-47-7
• Molecular Formula: C9H10FNOS
• Molecular Weight: 199.2452
• NSC Number: 243572
• DSSTox Substance ID: DTXSID30402018
• Nikkaji Number: J482.442C
• Mol file: 404-47-7.mol

Synonyms:404-47-7;NSC243572;O-Ethyl (4-fluorophenyl)carbamothioate;DTXSID30402018;NSC-243572;N-(4-Fluorophenyl)thiocarbamic acid O-ethyl ester

Chemical Property of O-Ethyl (4-fluorophenyl)carbamothioate

Chemical Property:

• Vapor Pressure: 0.0294mmHg at 25°C
• Boiling Point: 245°Cat760mmHg
• Flash Point: 102°C
• Density: 1.265g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.04671328
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=S)NC1=CC=C(C=C1)F

Technology Process of O-Ethyl (4-fluorophenyl)carbamothioate

There total 3 articles about O-Ethyl (4-fluorophenyl)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:

4-fluoroaniline (371-40-4) → (4-fluoro-phenyl)-thiocarbamic acid O-ethyl ester (404-47-7)

Guidance literature:

Multi-step reaction with 2 steps

1: chloroform; water

With chloroform; water;

DOI:10.1039/jr9310003285

Reference yield:

ethanol (64-17-5) + 4-fluorophenyl isothiocyanate (1544-68-9) → (4-fluoro-phenyl)-thiocarbamic acid O-ethyl ester (404-47-7)

Guidance literature:

DOI:10.1039/jr9310003285

Reference yield:

→ (4-fluoro-phenyl)-thiocarbamic acid O-ethyl ester (404-47-7)

Guidance literature:

p-Fluorphenylisothiocyanat, Ethanol;

upstream raw materials:

ethanol

4-fluorophenyl isothiocyanate

4-fluoroaniline

Downstream raw materials:

ethyl 4-fluorophenylcarbamate