苯磺酸
TL;DR: 苯磺酸 (CAS 98-11-3) is a chemical compound with molecular formula C6H6O3S and molecular weight 158.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯磺酸
benzenesulfonic acid
Also Known As: BENZENESULFONIC ACID, Besylic acid, Phenylsulfonic acid, Benzenesulphonic acid, Benzene sulphonic acid
| Molecular Formula | C6H6O3S |
|---|---|
| Molecular Weight | 158.00 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.00377 |
| Heavy Atoms | 10 |
| Complexity | 184.0 |
| Melting Point | 109 to 43.9 °C |
| Boiling Point | 190 °C |
| Density | Relative density (water = 1): 1.3 (47 °C) |
| Solubility | 5 to 10 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 113 °C |
| Vapor Pressure | 0.0000236 [mmHg] |
Chemical Identifiers
| CAS Number | 98-11-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | SRSXLGNVWSONIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯磺酸 (CAS 98-11-3), with molecular formula C6H6O3S and molecular weight 158.00 g/mol. IUPAC: benzenesulfonic acid.
Chemical Property Profile of 苯磺酸
Property Insights of 苯磺酸
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯磺酸. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯磺酸. Following Lipinski's Rule of Five, 苯磺酸 has 1 hydrogen bond donor(s) and 3 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 苯磺酸?
The CAS number of 苯磺酸 is 98-11-3.
What is the molecular formula of 苯磺酸?
The molecular formula of 苯磺酸 is C6H6O3S.
What is the molecular weight of 苯磺酸?
The molecular weight of 苯磺酸 is 158.00 g/mol.
Where can I buy 苯磺酸?
You can request a quote for 苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.