3-(Methylsulfonyl)aniline hydrochloride
TL;DR: 3-(Methylsulfonyl)aniline hydrochloride (CAS 113798-74-6) is a chemical compound with molecular formula C7H10ClNO2S and molecular weight 207.01208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylsulfonylaniline;hydrochloride
Also Known As: 3-(Methylsulfonyl)aniline hydrochloride, 3-methylsulfonylaniline Hydrochloride, 2,3,6-Trifluorophenol, 3-methylsulfonylaniline;hydrochloride, 3-(methylsulphonyl)aniline hydrochloride
Technical Specifications
| Molecular Formula | C7H10ClNO2S |
| Molecular Weight | 207.01208 g/mol |
| XLogP | 1.0941 |
| Topological Polar Surface Area (TPSA) | 68.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.01208 Da |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
| SMILES | CS(=O)(=O)C1=CC=CC(=C1)N.Cl |
| InChIKey | ZMPXGSYLKFAGOV-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Methylsulfonyl)aniline hydrochloride
Property Insights of 3-(Methylsulfonyl)aniline hydrochloride
The XLogP value of 1.0941 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Methylsulfonyl)aniline hydrochloride. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Methylsulfonyl)aniline hydrochloride. Following Lipinski's Rule of Five, 3-(Methylsulfonyl)aniline hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Methylsulfonyl)aniline hydrochloride?
The CAS number of 3-(Methylsulfonyl)aniline hydrochloride is 113798-74-6.
What is the molecular formula of 3-(Methylsulfonyl)aniline hydrochloride?
The molecular formula of 3-(Methylsulfonyl)aniline hydrochloride is C7H10ClNO2S.
What is the molecular weight of 3-(Methylsulfonyl)aniline hydrochloride?
The molecular weight of 3-(Methylsulfonyl)aniline hydrochloride is 207.01208 g/mol.
Where can I buy 3-(Methylsulfonyl)aniline hydrochloride?
You can request a quote for 3-(Methylsulfonyl)aniline hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Methylsulfonyl)aniline hydrochloride?
Yes, CoreyChem provides custom synthesis services for 3-(Methylsulfonyl)aniline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.