Carbamodithioic acid, acetyl-, methyl ester

Base Information

• Chemical Name: Carbamodithioic acid, acetyl-, methyl ester
• CAS No.: 16696-88-1
• Molecular Formula: C4H7NOS2
• Molecular Weight: 149.23400
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID20418709
• Nikkaji Number: J113.901K
• Mol file: 16696-88-1.mol

Synonyms:methyl N-acetylcarbamodithioate;Carbamodithioic acid, acetyl-, methyl ester;16696-88-1;Carbamic acid, acetyldithio-, methyl ester;Methyl acetyldithiocarbamate #;SCHEMBL11151189;DTXSID20418709;UTLWSCJXMNFHFX-UHFFFAOYSA-N;Acetyldithiocarbamic acid methyl ester

Chemical Property of Carbamodithioic acid, acetyl-, methyl ester

Chemical Property:

• PSA: 89.98000
• LogP: 1.61070
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 148.99690619
• Heavy Atom Count: 8
• Complexity: 113

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(=S)SC

Technology Process of Carbamodithioic acid, acetyl-, methyl ester

There total 7 articles about Carbamodithioic acid, acetyl-, 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:

acetic anhydride (108-24-7) → acetyl dithiocarbamic acid methyl ester (16696-88-1)

Guidance literature:

at 100 ℃;

Reference yield:

potassium thioacyanate (333-20-0) + acetyl chloride (75-36-5) → acetyl dithiocarbamic acid methyl ester (16696-88-1)

Guidance literature:

With acetonitrile; anschliessend mit Methanthiol;

Reference yield:

methyl thiocyanate (556-64-9) + thioacetic acid (507-09-5) → acetyl dithiocarbamic acid methyl ester (16696-88-1)

Guidance literature:

upstream raw materials:

methyl thiocyanate

thioacetic acid

S-methyl dithiocarbamate

acetic anhydride

Downstream raw materials:

5-acetyl-3-methyl-4-thio-hydantoic acid p-toluidide

5-acetyl-3-methyl-4-thio-hydantoic acid benzylamide

4-(5-acetyl-4-thio-hydantoylamino)-benzoic acid

1-methyl-2-thioxoimidazolidin-4-one