4-(Methylsulfonyl)aniline
TL;DR: 4-(Methylsulfonyl)aniline (CAS 5470-49-5) 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.
4-methylsulfonylaniline
Also Known As: 4-(Methylsulfonyl)aniline, 4-methylsulfonylaniline, 4-Mesylaniline, 4-methanesulfonylaniline, 4-(methylsulphonyl)aniline
| Molecular Formula | C7H9NO2S |
|---|---|
| Molecular Weight | 171.04 g/mol |
| LogP | -0.1 |
| 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 | 209.0 |
Chemical Identifiers
| CAS Number | 5470-49-5 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)N |
| InChIKey | XJEVFFNOMKXBLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Methylsulfonyl)aniline (CAS 5470-49-5), with molecular formula C7H9NO2S and molecular weight 171.04 g/mol. IUPAC: 4-methylsulfonylaniline.
Chemical Property Profile of 4-(Methylsulfonyl)aniline
Property Insights of 4-(Methylsulfonyl)aniline
The XLogP value of -0.1 indicates that 4-(Methylsulfonyl)aniline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methylsulfonyl)aniline. Following Lipinski's Rule of Five, 4-(Methylsulfonyl)aniline 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 4-(Methylsulfonyl)aniline?
The CAS number of 4-(Methylsulfonyl)aniline is 5470-49-5.
What is the molecular formula of 4-(Methylsulfonyl)aniline?
The molecular formula of 4-(Methylsulfonyl)aniline is C7H9NO2S.
What is the molecular weight of 4-(Methylsulfonyl)aniline?
The molecular weight of 4-(Methylsulfonyl)aniline is 171.04 g/mol.
Where can I buy 4-(Methylsulfonyl)aniline?
You can request a quote for 4-(Methylsulfonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylsulfonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylsulfonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.