5-Thiophen-2-yldithiole-3-thione

Base Information

• Chemical Name: 5-Thiophen-2-yldithiole-3-thione
• CAS No.: 13834-61-2
• Molecular Formula: C7H4S4
• Molecular Weight: 216.3667
• NSC Number: 194603
• DSSTox Substance ID: DTXSID40307702
• Nikkaji Number: J648.817J
• Wikidata: Q82055212
• Mol file: 13834-61-2.mol

Synonyms:13834-61-2;5-thiophen-2-yldithiole-3-thione;NSC194603;SCHEMBL8689986;DTXSID40307702;NSC-194603

Chemical Property of 5-Thiophen-2-yldithiole-3-thione

Chemical Property:

• Vapor Pressure: 1.31E-05mmHg at 25°C
• Boiling Point: 379.1°C at 760 mmHg
• Flash Point: 183.1°C
• Density: 1.57g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 215.91958482
• Heavy Atom Count: 11
• Complexity: 209

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)C2=CC(=S)SS2

Technology Process of 5-Thiophen-2-yldithiole-3-thione

There total 17 articles about 5-Thiophen-2-yldithiole-3-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%

methyl 3-hydroxy-3-(thiophen-2-yl)prop-2-enedithioate (20365-72-4) → 5-(thiophen-2-yl)-3H-1,2-dithiole-3-thione (13834-61-2)

Guidance literature:

With sulfur; indium(III) chloride; In neat (no solvent); at 90 ℃; for 1h;

DOI:10.1021/acs.joc.6b01802

Reference yield: 79.0%

3,3'-dimercapto 1-(2-thienyl)2-propen-1-one (15185-52-1) → 5-(thiophen-2-yl)-3H-1,2-dithiole-3-thione (13834-61-2)

Guidance literature:

With tetraphosphorus decasulfide; In benzene; for 5h; Heating;

DOI:10.1080/10426507.2014.887075

Reference yield: 56.0%

2-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)thiophene (1620977-65-2) → 5-(thiophen-2-yl)-3H-1,2-dithiole-3-thione (13834-61-2)

Guidance literature:

With sulfur; N,N,N,N,-tetramethylethylenediamine; caesium carbonate; copper(I) bromide; In N,N-dimethyl-formamide; at 120 ℃; for 12h;

upstream raw materials:

-1-(2-Thienyl)-1-propene

5-(thien-2-yl)-3H-1,2-dithiol-3-one

ethyl 2-thenoylacetate

3-oxo-3-[2]thienyl-propionaldehyde

Downstream raw materials:

5-(thien-2-yl)-3H-1,2-dithiol-3-one