1-(Phenylamino)methanesulfonic acid
TL;DR: 1-(Phenylamino)methanesulfonic acid (CAS 103-06-0) is a chemical compound with molecular formula C7H9NO3S and molecular weight 187.03032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
anilinomethanesulfonic acid
Also Known As: Anilinomethanesulfonic acid, Anilinomethanesulfonate, Aniline-omega-acid, 1-Tricosene, N-(Sulfomethyl)aniline
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H9NO3S |
| Molecular Weight | 187.03032 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 74.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.03032 Da |
| Heavy Atoms | 12 |
| Complexity | 213.0 |
| SMILES | C1=CC=C(C=C1)NCS(=O)(=O)O |
| InChIKey | QKZIVVMOMKTVIK-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Phenylamino)methanesulfonic acid
Property Insights of 1-(Phenylamino)methanesulfonic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Phenylamino)methanesulfonic acid. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Phenylamino)methanesulfonic acid. Following Lipinski's Rule of Five, 1-(Phenylamino)methanesulfonic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(Phenylamino)methanesulfonic acid?
The CAS number of 1-(Phenylamino)methanesulfonic acid is 103-06-0.
What is the molecular formula of 1-(Phenylamino)methanesulfonic acid?
The molecular formula of 1-(Phenylamino)methanesulfonic acid is C7H9NO3S.
What is the molecular weight of 1-(Phenylamino)methanesulfonic acid?
The molecular weight of 1-(Phenylamino)methanesulfonic acid is 187.03032 g/mol.
Where can I buy 1-(Phenylamino)methanesulfonic acid?
You can request a quote for 1-(Phenylamino)methanesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Phenylamino)methanesulfonic acid?
Yes, CoreyChem provides custom synthesis services for 1-(Phenylamino)methanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.