2-Methanesulfonylaniline
TL;DR: 2-Methanesulfonylaniline (CAS 35164-39-7) is a chemical compound with molecular formula C7H9NO2S and molecular weight 171.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonylaniline
Also Known As: 2-(methylsulfonyl)aniline, 2-methylsulfonylaniline, 2-methanesulfonylaniline, 2-(Methylsulphonyl)aniline, 2-(Methanesulfonyl)aniline
| Molecular Formula | C7H9NO2S |
|---|---|
| Molecular Weight | 171.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.0354 |
| Heavy Atoms | 11 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 35164-39-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=CC=C1N |
| InChIKey | AUSRSVRJOXYXMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methanesulfonylaniline (CAS 35164-39-7), with molecular formula C7H9NO2S and molecular weight 171.04 g/mol. IUPAC: 2-methylsulfonylaniline.
Chemical Property Profile of 2-Methanesulfonylaniline
Property Insights of 2-Methanesulfonylaniline
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methanesulfonylaniline. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methanesulfonylaniline. Following Lipinski's Rule of Five, 2-Methanesulfonylaniline 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 2-Methanesulfonylaniline?
The CAS number of 2-Methanesulfonylaniline is 35164-39-7.
What is the molecular formula of 2-Methanesulfonylaniline?
The molecular formula of 2-Methanesulfonylaniline is C7H9NO2S.
What is the molecular weight of 2-Methanesulfonylaniline?
The molecular weight of 2-Methanesulfonylaniline is 171.04 g/mol.
Where can I buy 2-Methanesulfonylaniline?
You can request a quote for 2-Methanesulfonylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methanesulfonylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Methanesulfonylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.