4,5-Bis(ethylthio)-1,3-dithiole-2-thione

Base Information

• Chemical Name: 4,5-Bis(ethylthio)-1,3-dithiole-2-thione
• CAS No.: 59065-21-3
• Molecular Formula: C7H10S5
• Molecular Weight: 254.4793
• DSSTox Substance ID: DTXSID50474651
• Nikkaji Number: J1.138.877I
• Wikidata: Q82304730
• Mol file: 59065-21-3.mol

Synonyms:59065-21-3;4,5-BIS(ETHYLTHIO)-1,3-DITHIOLE-2-THIONE;DTXSID50474651;4,5-Di(ethylthio)-1,3-dithiol-2-thione

Chemical Property of 4,5-Bis(ethylthio)-1,3-dithiole-2-thione

Chemical Property:

• Boiling Point: 340.1±52.0 °C(Predicted)
• PSA: 139.17000
• Density: 1.40±0.1 g/cm3(Predicted)
• LogP: 4.76310
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 253.93860619
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

4,5-BIS(ETHYLTHIO)-1,3-DITHIOLE-2-THIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=C(SC(=S)S1)SCC

Technology Process of 4,5-Bis(ethylthio)-1,3-dithiole-2-thione

There total 9 articles about 4,5-Bis(ethylthio)-1,3-dithiole-2-thione 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: 82.0%

ethyl bromide (74-96-4) + bis(tetraetylammonium) bis(thioxo-1,3-dithiole-4,5-dithiolato)zincate(II) → 4,5-bis(2-ethylsulfanyl)-1,3-dithiole-2-thione (59065-21-3)

Guidance literature:

In acetonitrile; for 1h; Heating;

DOI:10.1055/s-1996-4216

Reference yield: 80.0%

bis(tetraethylammonium)bis(2-thioxo-1,3-dithiole-4,5-dithiolate)zincate (72022-68-5) + ethyl iodide (75-03-6) → 4,5-bis(2-ethylsulfanyl)-1,3-dithiole-2-thione (59065-21-3)

Guidance literature:

In acetone; Reflux;

DOI:10.1246/bcsj.20190283

Reference yield: 76.0%

ethyl bromide (74-96-4) → 4,5-bis(2-ethylsulfanyl)-1,3-dithiole-2-thione (59065-21-3)

Guidance literature:

In acetonitrile; Heating;

upstream raw materials:

carbon disulfide

ethyl iodide

4,5-bis(benzoylthio)-1,3-dithiole-2-thione

ethyl bromide

Downstream raw materials:

Acetic acid 4-[5-(4-acetoxy-benzylsulfanyl)-4',5'-bis-ethylsulfanyl-[2,2']bi[[1,3]dithiolylidene]-4-ylsulfanylmethyl]-phenyl ester