Methyl-N,N-diethylthiocarbamate

Base Information

• Chemical Name: Methyl-N,N-diethylthiocarbamate
• CAS No.: 145195-14-8
• Molecular Formula: C6H13NOS2
• Molecular Weight: 179.30352
• DSSTox Substance ID: DTXSID30436631
• Nikkaji Number: J581.187B,J953.894A
• Wikidata: Q27160833
• Mol file: 145195-14-8.mol

Synonyms:S-Methyl-N,N-diethyldithiocarbamate Sulfoxide;145195-14-8;Methyl-N,N-diethylthiocarbamate;N,N-Diethyl-1-(methylsulfinyl)methanethioamide;N,N-diethyl-1-methylsulfinylmethanethioamide;(Methylsulfinyl)(diethylamino)methanethione;SCHEMBL6371383;CHEBI:88842;DTXSID30436631;VQRMNXBTDRJEKI-UHFFFAOYSA-N;Methyl-N,N-diethylthiocarbamic acid;MFCD00870740;FT-0671680;S-Methyl-N, N-diethyldithiocarbamate sulfoxide;1-(Diethylamino)-2-thia-1-propanethione 2-oxide;Q27160833

Chemical Property of Methyl-N,N-diethylthiocarbamate

Chemical Property:

• PSA: 71.61000
• LogP: 1.85730
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.04385639
• Heavy Atom Count: 10
• Complexity: 143

Purity/Quality:

95% ^*data from raw suppliers

S-Methyl-N,N-diethyldithiocarbamate sulfoxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=S)S(=O)C
• Uses: A metabolite of Disulfiram (D493640). An inhibitor of human mitochondrial aldehyde dehydrogenase.