苯亞磺酸
TL;DR: 苯亞磺酸 (CAS 618-41-7) is a chemical compound with molecular formula C6H6O2S and molecular weight 142.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯亞磺酸
benzenesulfinic acid
Also Known As: BENZENESULFINIC ACID, Benzenesulphinic acid, Phenylsulfinic acid, benzenesulfinate, Benzenesulphenic acid
| Molecular Formula | C6H6O2S |
|---|---|
| Molecular Weight | 142.01 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.00885 |
| Heavy Atoms | 9 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 618-41-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)O |
| InChIKey | JEHKKBHWRAXMCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯亞磺酸 (CAS 618-41-7), with molecular formula C6H6O2S and molecular weight 142.01 g/mol. IUPAC: benzenesulfinic acid.
Chemical Property Profile of 苯亞磺酸
Property Insights of 苯亞磺酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯亞磺酸. With a topological polar surface area (TPSA) of 56.5 Ų, 苯亞磺酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯亞磺酸 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 苯亞磺酸?
The CAS number of 苯亞磺酸 is 618-41-7.
What is the molecular formula of 苯亞磺酸?
The molecular formula of 苯亞磺酸 is C6H6O2S.
What is the molecular weight of 苯亞磺酸?
The molecular weight of 苯亞磺酸 is 142.01 g/mol.
Where can I buy 苯亞磺酸?
You can request a quote for 苯亞磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯亞磺酸?
Yes, KEHONG BIO provides custom synthesis services for 苯亞磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.