Methyl hexyldithiocarbamate

Base Information

• Chemical Name: Methyl hexyldithiocarbamate
• CAS No.: 72352-82-0
• Molecular Formula: C8H17 N S2
• Molecular Weight: 191.362
• European Community (EC) Number: 276-593-7
• DSSTox Substance ID: DTXSID90222673
• Nikkaji Number: J299.094F
• Wikidata: Q83100986
• Mol file: 72352-82-0.mol

Synonyms:Methyl hexyldithiocarbamate;72352-82-0;EINECS 276-593-7;methyl N-hexyldithiocarbamate;SCHEMBL1285950;DTXSID90222673;NS00063108

Chemical Property of Methyl hexyldithiocarbamate

Chemical Property:

• Vapor Pressure: 0.0135mmHg at 25°C
• Boiling Point: 258.7°C at 760 mmHg
• Flash Point: 110.3°C
• PSA: 76.46000
• Density: 1.015g/cm³
• LogP: 3.21550
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 191.08024189
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCNC(=S)SC

Technology Process of Methyl hexyldithiocarbamate

There total 3 articles about Methyl hexyldithiocarbamate 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: 90.0%

carbon disulfide (75-15-0,12122-00-8) + hexan-1-amine (111-26-2) + methyl iodide (74-88-4) → methyl N-hexyldithiocarbamate (72352-82-0)

Guidance literature:

carbon disulfide; hexan-1-amine; With triethylamine; In pyridine; at 0 ℃; for 2h;

methyl iodide; In pyridine; at 0 ℃; for 14h; Further stages.;

DOI:10.1021/jo0155052

Reference yield:

hexan-1-amine (111-26-2) + methyl iodide (74-88-4) → methyl N-hexyldithiocarbamate (72352-82-0)

Guidance literature:

With carbon disulfide; sodium hydroxide; sodium chloride; In water;

Reference yield:

→ methyl N-hexyldithiocarbamate (72352-82-0)

Guidance literature:

Hexylamin, 1) CS2, NaOH, 2) MeI;

upstream raw materials:

carbon disulfide

hexan-1-amine

methyl iodide

Downstream raw materials:

5-Benzyl-3-hexyl-2-thioxo-imidazolidin-4-one