p-Benzenedicarbamic acid, tetrathio-, dimethyl ester

Base Information

• Chemical Name: p-Benzenedicarbamic acid, tetrathio-, dimethyl ester
• CAS No.: 19972-69-1
• Molecular Formula: C10H12N2S4
• Molecular Weight: 288.483
• DSSTox Substance ID: DTXSID70173770
• Nikkaji Number: J284.497D
• Mol file: 19972-69-1.mol

Synonyms:Tetrathio-p-benzenedicarbamic acid dimethyl ester;BRN 2381327;p-Benzenedicarbamic acid, tetrathio-, dimethyl ester;19972-69-1;SCHEMBL19101057;DTXSID70173770;AKOS004909323;LS-29668;N,N'-(1,4-Phenylene)bis(dithiocarbamic acid methyl) ester

Chemical Property of p-Benzenedicarbamic acid, tetrathio-, dimethyl ester

Chemical Property:

• Vapor Pressure: 4.27E-07mmHg at 25°C
• Boiling Point: 415°C at 760 mmHg
• Flash Point: 204.8°C
• Density: 1.447g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 287.98833309
• Heavy Atom Count: 16
• Complexity: 223

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=S)NC1=CC=C(C=C1)NC(=S)SC

Technology Process of p-Benzenedicarbamic acid, tetrathio-, dimethyl ester

There total 2 articles about p-Benzenedicarbamic acid, tetrathio-, dimethyl 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:

carbon disulfide (75-15-0,12122-00-8) + 1,4-phenylenediamine (106-50-3) + methyl iodide (74-88-4) → N,N'-(1,4-Phenylene)bis(methyldithiocarbamate) (19972-69-1)

Guidance literature:

With sodium hydroxide; Yield given. Multistep reaction; 1.) DMSO, r.t., 2h; 2.) r.t., 30 min;

Reference yield:

→ N,N'-(1,4-Phenylene)bis(methyldithiocarbamate) (19972-69-1)

Guidance literature:

1,4-Phenylene-bis(ammoniumdithiocarbamate), CH3-I, Δ;

Reference yield: 85.0%

N,N'-(1,4-Phenylene)bis(methyldithiocarbamate) (19972-69-1) + methyl iodide (74-88-4) → C12H16N2S4 (121711-45-3)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl-formamide; for 2h; Ambient temperature;

upstream raw materials:

carbon disulfide

1,4-phenylenediamine

methyl iodide

Downstream raw materials:

1 ,4-phenylenediisothiocyanate

C₁₂H₁₆N₂S₄

Refernces