S-(4-Methylphenyl) methanesulfonothioate

Base Information

• Chemical Name: S-(4-Methylphenyl) methanesulfonothioate
• CAS No.: 7559-49-1
• Molecular Formula: C8H10O2S2
• Molecular Weight: 202.298
• DSSTox Substance ID: DTXSID80550437
• Nikkaji Number: J3.023.684J
• Wikidata: Q82429799
• Mol file: 7559-49-1.mol

Synonyms:7559-49-1;DTXSID80550437;S-(4-Methylphenyl) methanesulfonothioate

Chemical Property of S-(4-Methylphenyl) methanesulfonothioate

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.01222190
• Heavy Atom Count: 12
• Complexity: 220

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of S-(4-Methylphenyl) methanesulfonothioate

There total 12 articles about S-(4-Methylphenyl) methanesulfonothioate 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: 88.0%

1-[(4-methylphenyl)sulfanyl]pyrrolidine-2,5-dione (39549-10-5) + sodium methansulfinate (20277-69-4) → S-(4-methylphenyl)methanethiosulfonate (7559-49-1)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In water; at 30 ℃; for 2h; Ionic liquid;

DOI:10.1016/j.tetlet.2012.09.132

Reference yield: 87.0%

sodium methansulfinate (20277-69-4) + para-thiocresol (106-45-6) → S-(4-methylphenyl)methanethiosulfonate (7559-49-1)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; ammonium tetrafluoroborate; oxygen; In N,N-dimethyl acetamide; water; at 30 ℃; for 18h;

DOI:10.1002/ejoc.201402847

Reference yield: 76.0%

di(p-tolyl) disulfide (103-19-5) + sodium methansulfinate (20277-69-4) → S-(4-methylphenyl)methanethiosulfonate (7559-49-1)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 25 ℃; for 15h;

DOI:10.1002/cjoc.201200028

upstream raw materials:

p-methylbenzenesulfenyl chloride

Silver; methanesulfinate

1-[(diethylamino)sulfanyl]-4-methylbenzol

Methanethiosulfonic acid S-(2,4-dinitro-phenyl) ester

Downstream raw materials:

2-phenyl-3-(4-tolylthio)imidazo<1,2-a>pyridine