甲基苯磺酸铵(1:1)
TL;DR: 甲基苯磺酸铵(1:1) (CAS 31923-86-1) is a chemical compound with molecular formula C7H11NO3S and molecular weight 189.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基苯磺酸铵(1:1)
azanium 2-methylbenzenesulfonate
Also Known As: Ammonium toluenesulfonate, Ammonium toluenesulphonate, Ammonium Toluene Sulfonate, ammonium 2-methylbenzenesulfonate, Benzenesulfonic acid, methyl-, ammonium salt
| Molecular Formula | C7H11NO3S |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | 1.27532 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.04596 |
| Heavy Atoms | 12 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 31923-86-1 |
|---|---|
| SMILES | CC1=CC=CC=C1S(=O)(=O)[O-].[NH4+] |
| InChIKey | IHRIVUSMZMVANI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基苯磺酸铵(1:1) (CAS 31923-86-1), with molecular formula C7H11NO3S and molecular weight 189.05 g/mol. IUPAC: azanium 2-methylbenzenesulfonate.
Chemical Property Profile of 甲基苯磺酸铵(1:1)
Property Insights of 甲基苯磺酸铵(1:1)
The XLogP value of 1.27532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲基苯磺酸铵(1:1). The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲基苯磺酸铵(1:1). Following Lipinski's Rule of Five, 甲基苯磺酸铵(1:1) 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 甲基苯磺酸铵(1:1)?
The CAS number of 甲基苯磺酸铵(1:1) is 31923-86-1.
What is the molecular formula of 甲基苯磺酸铵(1:1)?
The molecular formula of 甲基苯磺酸铵(1:1) is C7H11NO3S.
What is the molecular weight of 甲基苯磺酸铵(1:1)?
The molecular weight of 甲基苯磺酸铵(1:1) is 189.05 g/mol.
Where can I buy 甲基苯磺酸铵(1:1)?
You can request a quote for 甲基苯磺酸铵(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基苯磺酸铵(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 甲基苯磺酸铵(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.