4-methylsulfanylbenzenesulfonic Acid

Base Information

• Chemical Name: 4-methylsulfanylbenzenesulfonic Acid
• CAS No.: 70140-60-2
• Molecular Formula: C7H8O3S2
• Molecular Weight: 204.271
• DSSTox Substance ID: DTXSID90409720
• Wikidata: Q72491347
• Mol file: 70140-60-2.mol

Synonyms:70140-60-2;4-methylsulfanylbenzenesulfonic Acid;4-methylsulfanyl-benzenesulfonic acid;4-(Methylthio)benzenesulfonic acid;4-(methylsulfanyl)benzene-1-sulfonic acid;SCHEMBL1892147;DTXSID90409720;BNYVROOBDQTCKD-UHFFFAOYSA-N;4-methylmercaptobenzenesulphonic acid;AKOS015940172;AM101161;FT-0742709;3-AMINO-3-(3-BROMO-4-HYDROXY-PHENYL)-PROPIONICACID

Chemical Property of 4-methylsulfanylbenzenesulfonic Acid

Chemical Property:

• PSA: 88.05000
• Density: 1.48
• LogP: 2.73600
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 203.99148646
• Heavy Atom Count: 12
• Complexity: 222

Purity/Quality:

98% ^*data from raw suppliers

4-METHYLSULFANYL-BENZENESULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)S(=O)(=O)O

Technology Process of 4-methylsulfanylbenzenesulfonic Acid

There total 6 articles about 4-methylsulfanylbenzenesulfonic Acid 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: 53.0%

4-iodothioanisole (35371-03-0) → 4-(methylthio)benzenesulfonic acid (70140-60-2)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate; Aminoiminomethanesulfinic acid; In dimethyl sulfoxide; at 100 ℃; for 14h; Green chemistry;

DOI:10.1039/d0gc03135f

Reference yield: 53.0%

→ 4-(methylthio)benzenesulfonic acid (70140-60-2)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate; Aminoiminomethanesulfinic acid; In dimethyl sulfoxide; at 100 ℃; for 14h;

Reference yield:

methyl-phenyl-thioether (100-68-5) → 4-(methylthio)benzenesulfonic acid (70140-60-2)

Guidance literature:

With sulfuric acid;

upstream raw materials:

methyl-phenyl-thioether

sulfuric acid

chlorosulfonic acid

4-iodothioanisole

Downstream raw materials:

4-methanesulfonyl-benzenesulfonic acid

para-dinitrobenzene