Ethylthiourethan

Base Information

• Chemical Name: Ethylthiourethan
• CAS No.: 998-98-1
• Molecular Formula: C5H11NOS
• Molecular Weight: 133.214
• NSC Number: 79255
• DSSTox Substance ID: DTXSID60390979
• Nikkaji Number: J832.100K
• Mol file: 998-98-1.mol

Synonyms:998-98-1;Ethylthiourethan;NSC79255;N-Ethyl O-ethyl thiocarbamate;SCHEMBL465284;DTXSID60390979;CMGLSTYFWSQNEC-UHFFFAOYSA-N;Ethylthiocarbamic acid O-ethyl ester;NSC-79255;AKOS006351691

Chemical Property of Ethylthiourethan

Chemical Property:

• Vapor Pressure: 4.24mmHg at 25°C
• Boiling Point: 148.4°Cat760mmHg
• Flash Point: 43.5°C
• Density: 1.015g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 133.05613515
• Heavy Atom Count: 8
• Complexity: 74.8

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=S)OCC

Technology Process of Ethylthiourethan

There total 9 articles about Ethylthiourethan 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: 94.6%

bis-ethoxythiocarbonyldisulfane (502-55-6) + ethylamine (75-04-7,85404-22-4) → N-ethyl O-ethyl thiocarbamate (998-98-1)

Guidance literature:

With oxygen; manganese (II) acetate tetrahydrate; triethylamine; Heating;

DOI:10.1007/s00706-010-0328-y

Reference yield: 74.0%

ethanol (64-17-5) + Ethyl isothiocyanate (542-85-8) → N-ethyl O-ethyl thiocarbamate (998-98-1)

Guidance literature:

for 50h; Heating;

DOI:10.1021/jf062856e

Reference yield: 62.0%

ethyl N-ethylcarbamate (623-78-9) → N-ethyl O-ethyl thiocarbamate (998-98-1)

Guidance literature:

With Lawessons reagent; In xylene; at 140 ℃; for 2h;

DOI:10.1016/0040-4020(82)85099-0

upstream raw materials:

ethanol

Ethyl isothiocyanate

potassium ethyl xanthogenate

ethylamine

Downstream raw materials:

carbon oxide sulfide

ethanol

ethylamine

N,N'-diethylthiourea