Bis-(m-tolyl)disulfide

Base Information

• Chemical Name: Bis-(m-tolyl)disulfide
• CAS No.: 20333-41-9
• Molecular Formula: C14H14S2
• Molecular Weight: 246.397
• DSSTox Substance ID: DTXSID90451365
• Nikkaji Number: J141.603K
• Wikidata: Q82271350
• Mol file: 20333-41-9.mol

Synonyms:bis-(m-tolyl)disulfide;20333-41-9;bis(3-methylphenyl) disulfide;SCHEMBL576105;Bis(3-methylphenyl) persulfide;DTXSID90451365;VDWYKAMPKIFOIO-UHFFFAOYSA-N

Chemical Property of Bis-(m-tolyl)disulfide

Chemical Property:

• Melting Point: -21°C
• Refractive Index: 1.6210 (estimate)
• Boiling Point: 349.4°C (rough estimate)
• PSA: 50.60000
• Density: 1.2475 (rough estimate)
• LogP: 5.10280
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 246.05369279
• Heavy Atom Count: 16
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)SSC2=CC=CC(=C2)C

Technology Process of Bis-(m-tolyl)disulfide

There total 20 articles about Bis-(m-tolyl)disulfide 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%

toluene-3-thiol (108-40-7) → bis(3-methylphenyl)disulfide (20333-41-9)

Guidance literature:

With bis(2,2'-bipyridyl) copper(II) permanganate; In dichloromethane; for 0.166667h;

Reference yield: 94.0%

S-p-tolyl 4-methylbenzenesulfinothioate (6481-73-8) + menthyl m-toluenesulfenate → di(p-tolyl) disulfide (103-19-5) + bis(3-methylphenyl)disulfide (20333-41-9) + 2-isopropyl-5-methylcyclohexyl 4-methylbenzenesulfinate (98147-48-9) + C14H14S2

Guidance literature:

In chloroform-d1; for 2h; Yields of byproduct given; Ambient temperature;

DOI:10.1016/S0040-4039(96)02096-5

Reference yield: 90.0%

3-Iodotoluene (625-95-6) → bis(3-methylphenyl)disulfide (20333-41-9)

Guidance literature:

With copper(l) iodide; hexachloroethane; sodium carbonate; thiourea; In water; at 120 ℃; for 12.5h;

DOI:10.1002/aoc.3579

upstream raw materials:

toluene-3-thiol

3-Methylbutenoic acid

3-methylbenzenesulfonamide

C₁₄H₁₂O₆S₄^(2-)*2Li⁽¹⁺⁾

Downstream raw materials:

3,3'-dimethyl-biphenyl

3-Methyl-thiobenzoic acid S-m-tolyl ester

1-methyl-3-thiocyanatobenzene

3-methylphenylsulfenyl chloride