2,5-Bis(phenylthio)-p-benzoquinone

Base Information

• Chemical Name: 2,5-Bis(phenylthio)-p-benzoquinone
• CAS No.: 17058-53-6
• Molecular Formula: C18H12 O2 S2
• Molecular Weight: 324.424
• Hs Code.: 2930909090
• NSC Number: 406552
• UNII: IYZ9ZT78ZU
• DSSTox Substance ID: DTXSID30168884
• Nikkaji Number: J36.082A
• Wikidata: Q83038497
• ChEMBL ID: CHEMBL2087987
• Mol file: 17058-53-6.mol

Synonyms:2,5-Bis(phenylthio)-p-benzoquinone;17058-53-6;p-Benzoquinone, 2,5-bis(phenylthio)-;2,5-Bis(phenylthio)benzoquinone;2,5-bis(phenylsulfanyl)cyclohexa-2,5-diene-1,4-dione;IYZ9ZT78ZU;2,5-Cyclohexadiene-1,4-dione, 2,5-bis(phenylthio)-;NSC-406552;2,5-Bis(phenylthio)-1,4-benzoquinone;USAF PD-18;2,5-Bis(phenylthio)-2,5-cyclohexadiene-1,4-dione;NSC 406552;BRN 3367850;NSC406552;UNII-IYZ9ZT78ZU;3-08-00-03353 (Beilstein Handbook Reference);SCHEMBL7919414;CHEMBL2087987;WLN: L6V DVJ BSR& ESR;DTXSID30168884;p-Benzoquinone,5-bis(phenylthio)-;2,4-dione, 2,5-bis(phenylthio)-

Chemical Property of 2,5-Bis(phenylthio)-p-benzoquinone

Chemical Property:

• Vapor Pressure: 1.71E-09mmHg at 25°C
• Boiling Point: 483.2°Cat760mmHg
• Flash Point: 209.1°C
• PSA: 84.74000
• Density: 1.36g/cm³
• LogP: 4.49060
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 324.02787197
• Heavy Atom Count: 22
• Complexity: 449

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): A poison.
• Hazard Codes: A poison.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=CC(=O)C(=CC2=O)SC3=CC=CC=C3

Technology Process of 2,5-Bis(phenylthio)-p-benzoquinone

There total 5 articles about 2,5-Bis(phenylthio)-p-benzoquinone 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: 40.0%

thiophenol (108-98-5) + p-benzoquinone (106-51-4) → 2,5-bis(phenylthio)-1,4-benzoquinone (17058-53-6) + 2,5-di(phenylthio)-1,4-hydroquinone (80632-58-2) + hydroquinone (123-31-9,8027-02-9)

Guidance literature:

In water; at 20 ℃;

DOI:10.1016/j.ejmech.2012.07.022

Reference yield:

thiophenol (108-98-5) + p-benzoquinone (106-51-4) → 2,5-bis(phenylthio)-1,4-benzoquinone (17058-53-6)

Guidance literature:

With tetrachloromethane; potassium permanganate; und Oxidieren unter Kuehlung mit einer Loesung von Kaliumpermanganat;

Reference yield:

→ 2,5-bis(phenylthio)-1,4-benzoquinone (17058-53-6)

Guidance literature:

With potassium permanganate;

upstream raw materials:

thiophenol

p-benzoquinone

Downstream raw materials:

2,3,6-tri-(thiophenyl)benzoquinone

1,4-diacetoxy-2,5-bis-phenylsulfanyl-benzene

2-amino-5-hydroxy-4,7-bis(phenylthio)benzofuran-3-carbonitrile

Refernces