N,N-diethyl-1-methylsulfinylformamide

Base Information

• Chemical Name: N,N-diethyl-1-methylsulfinylformamide
• CAS No.: 140703-15-7
• Molecular Formula: C₆H₁₃NO₂S
• Molecular Weight: 163.241
• UNII: Z6937KA5QD
• DSSTox Substance ID: DTXSID70930906
• Nikkaji Number: J459.834B
• Wikidata: Q27295053
• Mol file: 140703-15-7.mol

Synonyms:DETC-MeSO;MeDTC-sulfoxide;methyl diethylthiocarbamate sulfoxide;S-methyl N,N-diethylthiolcarbamate sulfoxide

Chemical Property of N,N-diethyl-1-methylsulfinylformamide

Chemical Property:

• Vapor Pressure: 0.0163mmHg at 25°C
• Boiling Point: 255.4°Cat760mmHg
• Flash Point: 108.3°C
• PSA: 56.59000
• Density: 1.154g/cm³
• LogP: 1.69240
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 163.06669983
• Heavy Atom Count: 10
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

S-Methyl-N,N-diethylthiocarbamateSulfoxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=O)S(=O)C
• Uses: S-Methyl-N,N-diethylthiocarbamate Sulfoxide, is an oxygenated metabolite of Disulfiram (Antabuse) that is capable of in vitro inactivation of liver mitochondrial aldehyde dehydrogenase (EC 1.2.1.3, ALDH). S-Methyl-N,N-diethylthiocarbamate Sulfoxide, is an oxygenated metabolite of Disulfiram (Antabuse) that is capable of in vitro inactivation of liver mitochondrial aldehyde dehydrogenase (EC 1.2.1.3, ALDH).This compound is suitable for aldehyde dehydrogenase (ALDH) related research.

Technology Process of N,N-diethyl-1-methylsulfinylformamide

There total 1 articles about N,N-diethyl-1-methylsulfinylformamide 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: 5.0%

S-Methyl N,N-diethylthiocarbamate (37174-63-3) → S-Methyl-N,N-diethylthiocarbamoyl sulfoxide (140703-15-7) + S-methyl N,N-diethylthiolcarbamate sulfone (155514-79-7)

Guidance literature:

With sodium periodate;

DOI:10.1016/0006-2952(94)00504-F

Reference yield:

GLUTATHIONE (70-18-8) + S-Methyl-N,N-diethylthiocarbamoyl sulfoxide (140703-15-7) → S-(N,N-diethylcarbamoyl)glutathione (157723-51-8)

Guidance literature:

With potassium phosphate; at 37 ℃; pH=7.0; Kinetics;

DOI:10.1016/S0006-2952(97)00513-3

Reference yield:

S-Methyl-N,N-diethylthiocarbamoyl sulfoxide (140703-15-7) → S-methyl N,N-diethylthiolcarbamate sulfone (155514-79-7)

Guidance literature:

With dihydrogen peroxide; horse radish peroxidase; In phosphate buffer; at 37 ℃; for 0.5h; pH=7.0; Further Variations:; reaction time; Product distribution;

DOI:10.1016/S0006-2952(97)00513-3

upstream raw materials:

S-Methyl N,N-diethylthiocarbamate

Downstream raw materials:

S-(N,N-diethylcarbamoyl)glutathione

S-methyl N,N-diethylthiolcarbamate sulfone

Refernces