Benzenesulfonothioic acid
TL;DR: Benzenesulfonothioic acid (CAS 13431-03-3) is a chemical compound with molecular formula C6H6O2S2 and molecular weight 173.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hydroxy-oxo-phenyl-sulfanylidene-λ6-sulfane
Also Known As: Benzenethiosulfonic acid, Benzenesulfonothioic acid, (sulfanylsulfonyl)benzene, hydroxy-oxo-phenyl-sulfanylidene-, hydroxy-oxo-phenyl-sulfanylidene-lambda6-sulfane
| Molecular Formula | C6H6O2S2 |
|---|---|
| Molecular Weight | 173.98 g/mol |
| LogP | 1.2648 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.98093 |
| Heavy Atoms | 10 |
| Complexity | 301.7795 |
Chemical Identifiers
| CAS Number | 13431-03-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=S)O |
Product Overview
Benzenesulfonothioic acid (CAS 13431-03-3), with molecular formula C6H6O2S2 and molecular weight 173.98 g/mol. IUPAC: hydroxy-oxo-phenyl-sulfanylidene-λ6-sulfane.
Chemical Property Profile of Benzenesulfonothioic acid
Property Insights of Benzenesulfonothioic acid
The XLogP value of 1.2648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonothioic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Benzenesulfonothioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonothioic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzenesulfonothioic acid?
The CAS number of Benzenesulfonothioic acid is 13431-03-3.
What is the molecular formula of Benzenesulfonothioic acid?
The molecular formula of Benzenesulfonothioic acid is C6H6O2S2.
What is the molecular weight of Benzenesulfonothioic acid?
The molecular weight of Benzenesulfonothioic acid is 173.98 g/mol.
Where can I buy Benzenesulfonothioic acid?
You can request a quote for Benzenesulfonothioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonothioic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonothioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.