3H-1,2-Dithiole-3-thione, 5-(4-chlorophenyl)-

Base Information

Chemical Name:3H-1,2-Dithiole-3-thione, 5-(4-chlorophenyl)-
CAS No.:5761-16-0
Molecular Formula:C9H5ClS3
Molecular Weight:244.79
Hs Code.:
NSC Number:194608
DSSTox Substance ID:DTXSID40206241
Nikkaji Number:J516.421D
Wikidata:Q83080008
ChEMBL ID:CHEMBL3355777

Synonyms:5-(4-chlorophenyl)dithiole-3-thione;5761-16-0;3H-1,2-Dithiole-3-thione, 5-(4-chlorophenyl)-;NSC194608;Maybridge3_001354;SCHEMBL9534281;CHEMBL3355777;DTXSID40206241;HMS1434N12;CCG-40935;NSC 194608;NSC-194608;IDI1_012741;3H-1,2-Dithiole-3-thione,5-(4-chlorophenyl)-;SR-01000631043-1;BRD-K48330966-001-01-0

Suppliers and Price of 3H-1,2-Dithiole-3-thione, 5-(4-chlorophenyl)-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of 3H-1,2-Dithiole-3-thione, 5-(4-chlorophenyl)-

Chemical Property:

Vapor Pressure:6.96E-06mmHg at 25°C
Boiling Point:388.2°Cat760mmHg
Flash Point:188.6°C
Density:1.54g/cm³
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:243.9241914
Heavy Atom Count:13
Complexity:241

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=CC(=S)SS2)Cl

Technology Process of 3H-1,2-Dithiole-3-thione, 5-(4-chlorophenyl)-

There total 7 articles about 3H-1,2-Dithiole-3-thione, 5-(4-chlorophenyl)- 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: 83.0%

: C₁₃H₁₅ClOS₂

: 5761-16-0
5-(4-chlorophenyl)-3H-1,2-dithiole-3-thione

Guidance literature:: With sulfur; indium(III) chloride; In neat (no solvent); at 90 ℃; for 1h;
DOI:10.1021/acs.joc.6b01802

Reference yield:

: 10364-95-1
1-(4-chloro-benzoyl)-1H-imidazole

: 5761-16-0
5-(4-chlorophenyl)-3H-1,2-dithiole-3-thione

Guidance literature:: Multi-step reaction with 2 steps

1.1: magnesium chloride; triethylamine / tetrahydrofuran / 6 h / 25 °C

1.2: Reflux

2.1: tetraphosphorus decasulfide; sulfur; Hexamethyldisiloxane / 5,5-dimethyl-1,3-cyclohexadiene / Reflux

With sulfur; tetraphosphorus decasulfide; Hexamethyldisiloxane; triethylamine; magnesium chloride; In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene;
DOI:10.1021/acs.jafc.9b06360

Reference yield:

: 74-11-3
para-chlorobenzoic acid

: 5761-16-0
5-(4-chlorophenyl)-3H-1,2-dithiole-3-thione

Guidance literature:: Multi-step reaction with 3 steps

1.1: tetrahydrofuran / Reflux

2.1: magnesium chloride; triethylamine / tetrahydrofuran / 6 h / 25 °C

2.2: Reflux

3.1: tetraphosphorus decasulfide; sulfur; Hexamethyldisiloxane / 5,5-dimethyl-1,3-cyclohexadiene / Reflux

With sulfur; tetraphosphorus decasulfide; Hexamethyldisiloxane; triethylamine; magnesium chloride; In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene;
DOI:10.1021/acs.jafc.9b06360