Hexakis(methylthio)benzene

Base Information

• Chemical Name: Hexakis(methylthio)benzene
• CAS No.: 58468-22-7
• Molecular Formula: C12H18S6
• Molecular Weight: 354.671
• DSSTox Substance ID: DTXSID10413748
• Nikkaji Number: J874.959K
• Wikidata: Q82222085
• Mol file: 58468-22-7.mol

Synonyms:58468-22-7;HEXAKIS(METHYLTHIO)BENZENE;HEXAKIS(METHYLTHIO)BENZENE);SCHEMBL10858651;DTXSID10413748

Chemical Property of Hexakis(methylthio)benzene

Chemical Property:

• Vapor Pressure: 0.000126mmHg at 25°C
• Refractive Index: 1.683
• Boiling Point: 345.1°C at 760 mmHg
• Flash Point: 144.6°C
• PSA: 151.80000
• Density: 1.31g/cm³
• LogP: 6.01800
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 353.97327762
• Heavy Atom Count: 18
• Complexity: 163

Purity/Quality:

HEXAKIS(METHYLTHIO)BENZENE) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=C(C(=C(C(=C1SC)SC)SC)SC)SC

Technology Process of Hexakis(methylthio)benzene

There total 9 articles about Hexakis(methylthio)benzene 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: 71.0%

hexachlorobenzene (118-74-1,67471-27-6) + sodium thiomethoxide (5188-07-8) → hexakis(methylthio) benzene (58468-22-7)

Guidance literature:

In N,N,N,N,N,N-hexamethylphosphoric triamide; at 20 ℃; for 48h;

DOI:10.1021/jo01310a022

Reference yield: 71.0%

Hexafluorobenzene (392-56-3) + sodium thiomethoxide (5188-07-8) → hexakis(methylthio) benzene (58468-22-7)

Guidance literature:

In various solvent(s); for 72h; Ambient temperature;

DOI:10.1107/S010827019800643X

Reference yield:

1,2-bis(methylthio)acetylene (59507-56-1,93975-07-6) → hexakis(methylthio) benzene (58468-22-7)

Guidance literature:

With C₁₆H₂₁CoO₂; In various solvent(s); at 120 ℃;

DOI:10.1016/j.jorganchem.2004.06.048

upstream raw materials:

hexachlorobenzene

sodium thiomethoxide

methyl iodide

methylthiol

Downstream raw materials:

Pentakis(methylthio)thiophenol

hexamercaptobenzene

catena-poly[copper(I)-μ-hexakis(methylthio)benzene-S(1),S(2):S(4),S(5)] hexafluorophosphate

hexakis(methylsulfonyl)benzene

Refernces

• 1、 Kobayashi, Kenji,Takahashi, Ohgi,Namatame, Kazuhiko,Kikuchi, Osamu,Furukawa, Naomichi. "σ-delocalized hexakis(methylthio)benzene dication: A possible intermediate of pummerer-type rearrangement of monooxide of hexakis(methylthio)benzene". . p. 515 - 516. Retrieved 1998.
• 2、 Suenaga, Yusaku,Kuroda-Sowa, Takayoshi,Munakata, Megumu,Maekawa, Masahiko,Morimoto, Hiroshi. "A linear-chain copper(I) coordination polymer with hexakis(methylthio)benzene". . p. 1566 - 1569. Retrieved 2007/10/03.