Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide

Base Information

• Chemical Name: Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide
• CAS No.: 16601-12-0
• Molecular Formula: C14H14 O4 S3
• Molecular Weight: 342.461
• NSC Number: 175889
• DSSTox Substance ID: DTXSID50168063
• Nikkaji Number: J327.396B
• Wikidata: Q83037582
• Mol file: 16601-12-0.mol

Synonyms:16601-12-0;Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide;NSC175889;NSC 175889;bis(p-tolylsulfonyl)sulfid;p-Toluenesulfonic acid, thio-, anhydrosulfide;SCHEMBL733650;DTXSID50168063;p-Toluenesulfonic acid, anhydrosulfide;NSC-175889;1-methyl-4-(p-tolylsulfonylsulfanylsulfonyl)benzene

Chemical Property of Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide

Chemical Property:

• Vapor Pressure: 2.81E-10mmHg at 25°C
• Boiling Point: 516.9°Cat760mmHg
• Flash Point: 266.4°C
• Density: 1.384g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 342.00542244
• Heavy Atom Count: 21
• Complexity: 476

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide

There total 16 articles about Benzenesulfonothioic acid, 4-methyl-, anhydrosulfide 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: 94.0%

N-(p-tolylsulfonylthio)phthalimide (38028-98-7) → phthalimide (136918-14-4,85-41-6) + S-(4-toluenesulfonyl) 4-toluenethiosulfonate (16601-12-0)

Guidance literature:

With 1H-imidazole; In dichloromethane; for 2h; Heating;

DOI:10.1246/bcsj.53.3678

Reference yield: 87.0%

p-toluene sulfinic acid (536-57-2) → phthalimide (136918-14-4,85-41-6) + S-(4-toluenesulfonyl) 4-toluenethiosulfonate (16601-12-0)

Guidance literature:

With 4-methyl-morpholine; N,N'-thiobisphthalimide; In dichloromethane; for 1h; Heating;

DOI:10.1246/bcsj.53.3678

Reference yield: 73.0%

p-toluene sulfinic acid (536-57-2) → S-(4-toluenesulfonyl) 4-toluenethiosulfonate (16601-12-0)

Guidance literature:

With diisopropyloxy disulfide; In dichloromethane; for 2h; Ambient temperature;

upstream raw materials:

sodium 4-methylbenzenesulfinate

N,N'-thiodipiperidine

p-toluene sulfinic acid

N,N'-thiodimorpholine

Downstream raw materials:

Thiram

bis-ethoxythiocarbonyldisulfane

benzylthio(thiocarbonyl) p-tolylsulphonyl disulphide

bis(benzylsulfanyl thiocarbonyl)disulfide