Benzene, 1,1'-thiobis[4-(methylthio)-

Base Information

• Chemical Name: Benzene, 1,1'-thiobis[4-(methylthio)-
• CAS No.: 125877-23-8
• Molecular Formula: C14H14S3
• Molecular Weight: 278.463
• DSSTox Substance ID: DTXSID70353939
• Nikkaji Number: J1.125.653H
• Wikidata: Q82131808
• Mol file: 125877-23-8.mol

Synonyms:Benzene, 1,1'-thiobis[4-(methylthio)-;125877-23-8;ChemDiv3_000147;SCHEMBL7033576;DTXSID70353939;HMS1473G15;1-(methylsulfanyl)-4-{[4-(methylsulfanyl)phenyl]sulfanyl}benzene;AKOS000727736;IDI1_019465;NCGC00177985-01;NCGC00177985-02;AB01330597-02;SR-01000389211;SR-01000389211-1;1-(methylthio)-4-{[4-(methylthio)phenyl]thio}benzene

Chemical Property of Benzene, 1,1'-thiobis[4-(methylthio)-

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 278.02576397
• Heavy Atom Count: 17
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)SC2=CC=C(C=C2)SC

Technology Process of Benzene, 1,1'-thiobis[4-(methylthio)-

There total 13 articles about Benzene, 1,1'-thiobis[4-(methylthio)- 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: 100.0%

4,4'-dimercaptodiphenyl sulfide (19362-77-7) + methyl iodide (74-88-4) → bis<4-(methylthio)phenyl> sulfide (125877-23-8)

Guidance literature:

4,4'-dimercaptodiphenyl sulfide; With tetra-(n-butyl)ammonium iodide; caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1.5h;

methyl iodide; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2005.10.062

Reference yield: 77.0%

4-iodothioanisole (35371-03-0) → bis<4-(methylthio)phenyl> sulfide (125877-23-8)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; hexamethyldisilathiane; potassium carbonate; In 1-methyl-pyrrolidin-2-one; at 120 ℃; for 14h; Inert atmosphere; Sealed tube;

DOI:10.1055/s-0036-1591723

Reference yield: 71.0%

4-methylsulfanyl-thiophenol (1122-97-0) → bis<4-(methylthio)phenyl> sulfide (125877-23-8)

Guidance literature:

With hydrogen; In 1,3,5-trimethyl-benzene; at 150 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1039/d1cc00995h

upstream raw materials:

Dimethyldisulphide

4,4'-dibromodiphenyl sulfide

4,4'-diiododiphenyl sulfide

trifluoroacetic anhydride

Downstream raw materials:

<4-(methylsulfinyl)phenyl>-<4'-(methylthio)phenyl> sulfide

bis<4-(methylsulfinyl)phenyl> sulfide