Mesulfen

Base Information

• Chemical Name: Mesulfen
• CAS No.: 135-58-0
• Molecular Formula: C14H12S2
• Molecular Weight: 244.381
• Hs Code.: 29036990
• European Community (EC) Number: 205-202-4
• UNII: EG6V6W7WDD
• DSSTox Substance ID: DTXSID0057962
• Nikkaji Number: J5.606E
• Wikipedia: Mesulfen
• Wikidata: Q99434197
• NCI Thesaurus Code: C66104
• Metabolomics Workbench ID: 154174
• ChEMBL ID: CHEMBL2106968
• Mol file: 135-58-0.mol

Synonyms:Citemul S;dimethyldiphenylenedisulfide;mesulfen;thiotal

Chemical Property of Mesulfen

Chemical Property:

• Vapor Pressure: 1.06E-05mmHg at 25°C
• Melting Point: 123oC
• Refractive Index: 1.685
• Boiling Point: 382.092 °C at 760 mmHg
• Flash Point: 191.269 °C
• PSA: 50.60000
• Density: 1.237 g/cm³
• LogP: 4.91920
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 244.03804273
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi,N,O
• Hazard Codes: Xi,N,O

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)SC3=C(S2)C=CC(=C3)C
• Use Description: Mesulfen, a chemical compound, has various potential uses in different fields. In the field of pharmaceuticals, it may find applications as an intermediate in the synthesis of novel medications or as a reagent in organic chemistry for the creation of specific chemical structures. Its role in drug development and chemical synthesis is essential for advancing medical research and the production of pharmaceutical products. Additionally, in the field of agrochemicals, mesulfen may be utilized as an active ingredient in pesticides or herbicides, contributing to effective crop protection and agricultural practices. Its adaptability in both pharmaceuticals and agrochemicals underscores its significance in advancing healthcare and agriculture, playing a role in addressing critical challenges in these industries.

Technology Process of Mesulfen

There total 12 articles about Mesulfen 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:

tetra(p-tolyl)tin (6746-22-1) → Mesulfen (135-58-0)

Guidance literature:

With sulfur; at 190 ℃;

DOI:10.1021/ja01330a040

Reference yield:

toluene (108-88-3,15644-74-3,16713-13-6) → Mesulfen (135-58-0)

Guidance literature:

With aluminium trichloride; sulfur dichloride; at -15 ℃; dann auf etwa +40grad;

Reference yield:

para-thiocresol (106-45-6) → Mesulfen (135-58-0)

Guidance literature:

With sulfuric acid;

upstream raw materials:

di(4-methyl)phenylthiosulfonate

tetra(p-tolyl)tin

para-thiocresol

toluene

Refernces

• 1、 Spurg, Anke,Schnakenburg, Gregor,Waldvogel, Siegfried R.. "Oxidative coupling of diaryldisulfides by MoCl5 to thianthrenes". experimental part. p. 13313-13317+13274. Retrieved 2010/06/15.
• 2、 Giordan, Judith,Bock, Hans. "Radical Ions, 51. Oxidative Rearrangement of Diphenyl Disulfides to Thianthrenes". . p. 2548 - 2559. Retrieved 2007/10/02.