O-Methyl methylcarbamothioate

Base Information

• Chemical Name: O-Methyl methylcarbamothioate
• CAS No.: 14128-35-9
• Molecular Formula: C3H7 N O S
• Molecular Weight: 105.161
• DSSTox Substance ID: DTXSID60931063
• Nikkaji Number: J2.014.398C
• Wikidata: Q82906581
• Mol file: 14128-35-9.mol

Synonyms:O-Methyl methylcarbamothioate;Carbamothioic acid, methyl-, O-methyl ester;14128-35-9;SCHEMBL1694963;SCHEMBL13463384;DTXSID60931063;AKOS006349715;N-Methylthiocarbamic acid methyl ester;Methyl-thiocarbamic acid O-methyl ester;methylcarbamothioic acid O-methyl ester;O-Methyl hydrogen methylcarbonimidothioate

Chemical Property of O-Methyl methylcarbamothioate

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 105.02483502
• Heavy Atom Count: 6
• Complexity: 54.8

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=S)OC

Technology Process of O-Methyl methylcarbamothioate

There total 1 articles about O-Methyl methylcarbamothioate 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: 37.0%

N-diphenylacetyl-N-methylthiocarbamic acid O-methyl ester (116938-52-4) → N-methylthiocarbamic acid O-methyl ester (14128-35-9) + 1-methyl-3,3-diphenyl-4-thioxoazetidin-2-one (116938-54-6) + 4-mercapto-4-methoxy-1-methyl-3,3-diphenylazetidin-2-one (116938-53-5)

Guidance literature:

In benzene; Irradiation; 4-8 h;

Reference yield: 54.0%

N-methylthiocarbamic acid O-methyl ester (14128-35-9) + benzyl alcohol (100-51-6,185532-71-2) → benzyl N-methylcarbamate (30379-59-0)

Guidance literature:

N-methylthiocarbamic acid O-methyl ester; With pyridine; bis(trichloromethyl) carbonate; In dichloromethane; at -10 ℃;

benzyl alcohol; In dichloromethane; at -10 - 30 ℃; for 14h;

DOI:10.1081/SCC-120027235

Reference yield: 37.0%

3-phenyl-1,2,4-oxadiazol-5-amine (3663-37-4) + N-methylthiocarbamic acid O-methyl ester (14128-35-9) → 5-N-methylamino-3-phenyl-1,2,4-thiadiazole (17467-32-2) + 5-methoxy-3-phenyl-1,2,4-thiadiazole (99459-27-5) + N-carbamoylbenzamidine

Guidance literature:

In methanol; for 2.5h; Irradiation;

DOI:10.1016/S0040-4020(97)00784-9

upstream raw materials:

N-diphenylacetyl-N-methylthiocarbamic acid O-methyl ester

Downstream raw materials:

Methyl N-methyl-N-(tosylmethyl)-thionocarbamat

methyl N-methylcarbamate

N-diphenylacetyl-N-methylthiocarbamic acid O-methyl ester

5-N-methylamino-3-phenyl-1,2,4-thiadiazole

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