[1,4]Dithiino[2,3-b][1,4]dithiine

Base Information

• Chemical Name: [1,4]Dithiino[2,3-b][1,4]dithiine
• CAS No.: 255-55-0
• Molecular Formula: C6H4 S4
• Molecular Weight: 204.362
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50455804
• Nikkaji Number: J832.434D
• Wikidata: Q82277947
• Mol file: 255-55-0.mol

Synonyms:[1,4]dithiino[2,3-b][1,4]dithiine;255-55-0;1,4,5,8-Tetrathianaphthalene;[1,4]dithiino[2,3-b][1,4]dithiin;SCHEMBL10995590;DTXSID50455804;FT-0606911;1,4-DITHIINO[2,3-B]-1,4-DITHIIN

Chemical Property of [1,4]Dithiino[2,3-b][1,4]dithiine

Chemical Property:

• Boiling Point: 242.7±40.0 °C(Predicted)
• PSA: 112.96000
• Density: 1.61±0.1 g/cm3(Predicted)
• LogP: 3.78180
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 203.91958482
• Heavy Atom Count: 10
• Complexity: 182

Purity/Quality:

97%+ ^*data from raw suppliers

Safty Information:

• Safety Statements: S23:Do not inhale gas/fumes/vapour/spray.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC2=C(S1)SC=CS2

Technology Process of [1,4]Dithiino[2,3-b][1,4]dithiine

There total 5 articles about [1,4]Dithiino[2,3-b][1,4]dithiine 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: 93.0%

cis-1,2-Dichloroethylene (156-59-2,43695-79-0) + 4,5-bis(benzoylthio)-1,3-dithiole-2-thione (68494-08-6) → 1,4,5,8-tetrathianaphthalene (255-55-0)

Guidance literature:

With sodium ethanolate; In tetrahydrofuran; ethanol; Heating;

DOI:10.1055/s-1997-1407

Reference yield: 88.0%

cis-1,2-Dichloroethylene (156-59-2,43695-79-0) + disodium 1,3-dithiol-2-thione-4,5-dithiolate (54995-24-3) → 1,4,5,8-tetrathianaphthalene (255-55-0)

Guidance literature:

With sodium; In tetrahydrofuran; ethanol; reflux overnight;

Reference yield: 86.0%

4,5-bis(benzoylthio)-1,3-dithiole-2-thione (68494-08-6) + 1,2-Dichloroethylene (540-59-0,43695-79-0) → 1,4,5,8-tetrathianaphthalene (255-55-0)

Guidance literature:

With sodium ethanolate; In tetrahydrofuran; ethanol; Heating;

upstream raw materials:

cis-1,2-Dichloroethylene

disodium 1,3-dithiol-2-thione-4,5-dithiolate

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

1,2-Dichloroethylene

Downstream raw materials:

tetrathiafulvalene

bis(propylenedithio)tetrathiafulvalene

Refernces

• 1、 Meline, Ronald L.,Elsenbaumer, Ronald L.. "Direct syntheses of tetrathiafulvalene and bis- (ethylenedithio)tetrathiafulvalene by a non-coupling route from 1,4,5,8- tetrathianaphthalene". . p. 617 - 619. Retrieved 1997.
• 2、 Andreu, Raquel,Garín, Javier,Orduna, Jesús,Royo, José M.. "On the mechanism of formation of 1,4,5,8-tetrathianaphthalene (TTN) from dimercaptoisotrithione (dmit) derivatives". . p. 5207 - 5210. Retrieved 2007/10/03.