3-(Dimethylamino)benzenesulfonic acid
TL;DR: 3-(Dimethylamino)benzenesulfonic acid (CAS 618-09-7) is a chemical compound with molecular formula C8H11NO3S and molecular weight 201.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)benzenesulfonic acid
Also Known As: 3-(dimethylamino)benzenesulfonic acid, Neostigmine impurity 01, Dimethylaniline-m-sulfonic acid, Metanilic acid, N,N-dimethyl-, m-(Dimethylamino)benzenesulfonic acid
| Molecular Formula | C8H11NO3S |
|---|---|
| Molecular Weight | 201.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.04596 |
| Heavy Atoms | 13 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 618-09-7 |
|---|---|
| SMILES | CN(C)C1=CC(=CC=C1)S(=O)(=O)O |
| InChIKey | SOKSKPNEBIDBOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Dimethylamino)benzenesulfonic acid (CAS 618-09-7), with molecular formula C8H11NO3S and molecular weight 201.05 g/mol. IUPAC: 3-(dimethylamino)benzenesulfonic acid.
Chemical Property Profile of 3-(Dimethylamino)benzenesulfonic acid
Property Insights of 3-(Dimethylamino)benzenesulfonic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethylamino)benzenesulfonic acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Dimethylamino)benzenesulfonic acid. Following Lipinski's Rule of Five, 3-(Dimethylamino)benzenesulfonic acid has 1 hydrogen bond donor(s) and 4 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 3-(Dimethylamino)benzenesulfonic acid?
The CAS number of 3-(Dimethylamino)benzenesulfonic acid is 618-09-7.
What is the molecular formula of 3-(Dimethylamino)benzenesulfonic acid?
The molecular formula of 3-(Dimethylamino)benzenesulfonic acid is C8H11NO3S.
What is the molecular weight of 3-(Dimethylamino)benzenesulfonic acid?
The molecular weight of 3-(Dimethylamino)benzenesulfonic acid is 201.05 g/mol.
Where can I buy 3-(Dimethylamino)benzenesulfonic acid?
You can request a quote for 3-(Dimethylamino)benzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.