S-p-Tolyl benzenesulfinothioate

Base Information

• Chemical Name: S-p-Tolyl benzenesulfinothioate
• CAS No.: 26974-27-6
• Molecular Formula: C13H12OS2
• Molecular Weight: 248.37
• DSSTox Substance ID: DTXSID00497092
• Mol file: 26974-27-6.mol

Synonyms:S-p-Tolyl benzenesulfinothioate;26974-27-6;SCHEMBL9443803;DTXSID00497092;S-(4-Methylphenyl) benzenesulfinothioate

Chemical Property of S-p-Tolyl benzenesulfinothioate

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 248.03295735
• Heavy Atom Count: 16
• Complexity: 228

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of S-p-Tolyl benzenesulfinothioate

There total 2 articles about S-p-Tolyl benzenesulfinothioate 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:

benzenesulphinyl chloride (4972-29-6) + sodium p-thiocresolate (10486-08-5) → S-p-tolyl benzenethiosulfinate (26974-27-6)

Guidance literature:

With diethyl ether;

Reference yield:

benzenesulphinyl chloride (4972-29-6) + para-thiocresol (106-45-6) → S-p-tolyl benzenethiosulfinate (26974-27-6)

Guidance literature:

With pyridine; diethyl ether;

Reference yield: 100.0%

S-p-tolyl benzenethiosulfinate (26974-27-6) → p-tolyl benzenethiosulfonate (17041-81-5)

Guidance literature:

With hydrogenchloride; sodium periodate; In water; acetonitrile; at 20 ℃; for 1h;

DOI:10.1246/bcsj.54.1443

upstream raw materials:

benzenesulphinyl chloride

sodium p-thiocresolate

para-thiocresol

Downstream raw materials:

p-tolyl benzenethiosulfonate

methylphenylsulfonate

di(p-tolyl) disulfide

Methyl p-tolyl sulfone