4-Mercaptobenzenesulfonic acid

Base Information

• Chemical Name: 4-Mercaptobenzenesulfonic acid
• CAS No.: 7134-41-0
• Molecular Formula: C6H6 O3 S2
• Molecular Weight: 190.244
• NSC Number: 127168
• UNII: GE7V2EW58L
• DSSTox Substance ID: DTXSID60221537
• Nikkaji Number: J1.932.059F
• Wikidata: Q83099353
• ChEMBL ID: CHEMBL257260
• Mol file: 7134-41-0.mol

Synonyms:4-MBSNa;4-mercaptobenzenesulfonate;4-mercaptobenzenesulfonic acid

Chemical Property of 4-Mercaptobenzenesulfonic acid

Chemical Property:

• Melting Point: 251-253℃
• PSA: 101.55000
• Density: 1.524g/cm³
• LogP: 2.30280
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 189.97583640
• Heavy Atom Count: 11
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

4-MercaptobenzenesulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1S)S(=O)(=O)O

Technology Process of 4-Mercaptobenzenesulfonic acid

There total 6 articles about 4-Mercaptobenzenesulfonic 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: 39.0%

dianilinium 4,4'-dithiobis(benzenesulfonate) (111738-19-3) → 4-mercaptobenzenesulphonic acid (7134-41-0)

Guidance literature:

With Dowex 50W-X₂ (H-form); In methanol; water;

DOI:10.1248/cpb.39.1422

Reference yield:

4-aminobenzene sulfonic acid (121-57-3,856062-06-1) → 4-mercaptobenzenesulphonic acid (7134-41-0)

Guidance literature:

Multi-step reaction with 2 steps

2: 39 percent / Dowex 50W-X₂ (H-form) / methanol; H₂O

With Dowex 50W-X₂ (H-form); In methanol; water;

DOI:10.1248/cpb.39.1422

Reference yield:

4,4'-dithiobis(benzenesulphonic acid) (1161-11-1) → 4-mercaptobenzenesulphonic acid (7134-41-0)

Guidance literature:

With ammonium chloride; zinc;

upstream raw materials:

4,4'-dithiobis(benzenesulphonic acid)

dianilinium 4,4'-dithiobis(benzenesulfonate)

4-diazobenzenesulfonic acid

4-aminobenzene sulfonic acid

Downstream raw materials:

Sodium 4-((5-Methyl-2-oxo-1,3-dioxol-4-yl)methylthio)benzenesulfonate

4,4'-dithiobis(benzenesulphonic acid)

C₆H₅Sb(SC₆H₄-4-SO₃H)2

4-HOC₆H₄Sb(SC₆H₄-4-SO₃H)2