S-phenyl 4-methylbenzenesulfonothioate

Base Information

• Chemical Name: S-phenyl 4-methylbenzenesulfonothioate
• CAS No.: 3541-14-8
• Molecular Formula: C13H12 O2 S2
• Molecular Weight: 264.369
• NSC Number: 49724
• DSSTox Substance ID: DTXSID30287221
• Nikkaji Number: J62.929D
• Wikidata: Q82023186
• Mol file: 3541-14-8.mol

Synonyms:S-phenyl 4-methylbenzenesulfonothioate;3541-14-8;NSC49724;1-methyl-4-phenylsulfanylsulfonylbenzene;Benzenesulfonothioic acid, 4-methyl-, S-phenyl ester;Toluene-4-thiosulfonic acid, S-phenyl ester;1-methyl-4-[(phenylsulfanyl)sulfonyl]benzene;SCHEMBL10330809;DTXSID30287221;S-phenyl4-methylbenzenesulfonothioate;MFCD00032259;NSC-49724;AKOS024337841;S-PHENYL P-TOLUENETHIOSULFONATE;1-methyl-4-phenylsulfanylsulfonyl-benzene;DS-10494;CS-0059968;W17285

Chemical Property of S-phenyl 4-methylbenzenesulfonothioate

Chemical Property:

• Vapor Pressure: 8.75E-07mmHg at 25°C
• Boiling Point: 417.2°C at 760 mmHg
• Flash Point: 206.1°C
• Density: 1.32g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 264.02787197
• Heavy Atom Count: 17
• Complexity: 318

Purity/Quality:

98%,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)SC2=CC=CC=C2

Technology Process of S-phenyl 4-methylbenzenesulfonothioate

There total 40 articles about S-phenyl 4-methylbenzenesulfonothioate 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%

S-phenyl p-toluenethiosulfinate (26974-30-1) → phenyl toluene-4-thiosulfonate (3541-14-8)

Guidance literature:

With sodium periodate; iodine; In water; acetonitrile; at 20 ℃; for 0.5h;

DOI:10.1246/bcsj.54.1443

Reference yield: 94.0%

sodium 4-methylbenzenesulfinate (824-79-3) + diphenyldisulfane (882-33-7) → phenyl toluene-4-thiosulfonate (3541-14-8)

Guidance literature:

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

DOI:10.1021/jo5026805

Reference yield: 92.0%

p-toluene sulfinic acid (536-57-2) + diphenyldisulfane (882-33-7) → phenyl toluene-4-thiosulfonate (3541-14-8)

Guidance literature:

With lithium perchlorate; In acetonitrile; at 20 ℃; for 5h; Electrochemical reaction;

DOI:10.1002/adsc.201900047

upstream raw materials:

S-Phenyl benzenethiosulfonate

sodium 4-methylbenzenesulfinate

p-toluene sulfinic acid

benzenesulfenyl chloride

Downstream raw materials:

diphenyl sulfide

di(4-methyl)phenylthiosulfonate

di(p-tolyl) disulfide

4-(phenyldisulfanyl)toluene

Refernces

• 1、 Kumari, Arram Haritha,Kumar, Jangam Jagadesh,Krishna, Gamidi Rama,Reddy, Raju Jannapu. "Nickel-Catalyzed Difunctionalization of Alkynyl Bromides with Thiosulfonates and N -Arylthio Succinimides: A Convenient Synthesis of 1,2-Thiosulfonylethenes and 1,1-Dithioethenes". supporting information. p. 2850 - 2864. Retrieved 2021/05/18.
• 2、 Bi, Wen-Zhu,Zhang, Wen-Jie,Li, Zi-Jie,He, Yuan-Hao,Feng, Su-Xiang,Geng, Yang,Chen, Xiao-Lan,Qu, Ling-Bo. "Visible-light-promoted synthesis of secondary and tertiary thiocarbamates from thiosulfonates andN-substituted formamides". supporting information. p. 8701 - 8705. Retrieved 2021/10/22.