Benzenehexathiol

Base Information

• Chemical Name: Benzenehexathiol
• CAS No.: 62968-45-0
• Molecular Formula: C6H6S6
• Molecular Weight: 270.51
• DSSTox Substance ID: DTXSID70400295
• Nikkaji Number: J357.224B
• Wikidata: Q82203192
• Mol file: 62968-45-0.mol

Synonyms:Benzenehexathiol;62968-45-0;1,2,3,4,5,6-Benzenehexathiol;Benzene-1,2,3,4,5,6-hexathiol;SCHEMBL3875055;DTXSID70400295;F88661;A902936

Chemical Property of Benzenehexathiol

Chemical Property:

• Boiling Point: 519.9±50.0 °C(Predicted)
• PKA: 3.77±0.50(Predicted)
• PSA: 232.80000
• Density: 1.638±0.06 g/cm3(Predicted)
• LogP: 3.41880
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 269.87937723
• Heavy Atom Count: 12
• Complexity: 104

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1S)S)S)S)S)S

Technology Process of Benzenehexathiol

There total 7 articles about Benzenehexathiol 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: 96.0%

Hexa-natrium-benzen-hexathiolat (110431-65-7) → hexamercaptobenzene (62968-45-0)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/DT9940002333

Reference yield:

hexakis(isopropylthio)benzene (74542-72-6) → hexamercaptobenzene (62968-45-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Na, liq. NH₃ / -78 °C

2: 96 percent / 5percent aq. HCl

With hydrogenchloride; ammonia; sodium;

DOI:10.1039/DT9940002333

Reference yield:

hexakis(methylthio) benzene (58468-22-7) → hexamercaptobenzene (62968-45-0)

Guidance literature:

hexakis(methylthio) benzene; With sodium; at 100 ℃;

With hydrogenchloride; In methanol; water;

DOI:10.1021/acs.langmuir.8b03938

upstream raw materials:

Hexa-natrium-benzen-hexathiolat

hexakis(benzylthio)benzene

hexakis(isopropylthio)benzene

Hexafluorobenzene

Refernces

• 1、 Sutton, Liam R.,Donaubauer, Wolfgang A.,Hampel, Frank,Hirsch, Andreas. "Tris(thioacetals) from benzene hexathiol: Towards covalent self-assembly". . p. 1758 - 1759. Retrieved 2007/10/03.
• 2、 Richter, Andreas M.,Engels, Volkmar,Beye, Norbert,Fanghaenel, Egon. "Organische Elektronenleiter und Vorstufen; Zur Darstellung von Hexa-natrium-benzenhexathiolat aus Hexakis-benzylthio-benzen". . p. 444 - 445. Retrieved 2007/10/02.