1-(Ethyldisulfanyl)-4-methylbenzene

Base Information

• Chemical Name: 1-(Ethyldisulfanyl)-4-methylbenzene
• CAS No.: 61565-48-8
• Molecular Formula: C9H12S2
• Molecular Weight: 184.326
• DSSTox Substance ID: DTXSID20502733
• Wikidata: Q82356008
• Mol file: 61565-48-8.mol

Synonyms:1-(Ethyldisulfanyl)-4-methylbenzene;61565-48-8;SCHEMBL3895678;DTXSID20502733

Chemical Property of 1-(Ethyldisulfanyl)-4-methylbenzene

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.03804273
• Heavy Atom Count: 11
• Complexity: 95.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCSSC1=CC=C(C=C1)C

Technology Process of 1-(Ethyldisulfanyl)-4-methylbenzene

There total 3 articles about 1-(Ethyldisulfanyl)-4-methylbenzene 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: 85.0%

C26H32O6PS(1+)*I(1-) (129972-73-2) + para-thiocresol (106-45-6) → 1-(ethyldisulfanyl)-4-methylbenzene (61565-48-8) + Tris-(2,6-dimethoxy-phenyl)-phosphane; hydriodide (129972-84-5)

Guidance literature:

With (2,6)3P; In methanol; Ambient temperature;

DOI:10.1246/bcsj.64.1782

Reference yield: 76.0%

1-p-tolylsulfanyl-1H-benzotriazole + ethanethiol (75-08-1) → 1-(ethyldisulfanyl)-4-methylbenzene (61565-48-8)

Guidance literature:

In dichloromethane; for 0.5h; Inert atmosphere; Cooling;

DOI:10.1038/aps.2016.170

Reference yield:

S-ethyl p-toluenethiosulfonate (28519-30-4) → Diethyl disulfide (110-81-6) + di(p-tolyl) disulfide (103-19-5) + 1-(ethyldisulfanyl)-4-methylbenzene (61565-48-8)

Guidance literature:

With piperidinium thiotungstate; In N,N-dimethyl-formamide; for 1h; Ambient temperature;

DOI:10.1021/jo00299a010

upstream raw materials:

S-ethyl p-toluenethiosulfonate

C₂₆H₃₂O₆PS⁽¹⁺⁾*I^(1-)

para-thiocresol

ethanethiol