Methane p-toluenesulphonate
TL;DR: Methane p-toluenesulphonate (CAS 5098-14-6) is a chemical compound with molecular formula C8H12O3S and molecular weight 188.05072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methane;4-methylbenzenesulfonic acid
Also Known As: methane p-toluenesulphonate, methane;4-methylbenzenesulfonic acid, methane; 4-methylbenzenesulfonic acid
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H12O3S |
| Molecular Weight | 188.05072 g/mol |
| XLogP | 1.88 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.05072 Da |
| Heavy Atoms | 12 |
| Complexity | 206.0 |
| SMILES | C.CC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | RGFDUTPSNJTRCY-UHFFFAOYSA-N |
Chemical Property Profile of Methane p-toluenesulphonate
Property Insights of Methane p-toluenesulphonate
The XLogP value of 1.88 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methane p-toluenesulphonate. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methane p-toluenesulphonate. Following Lipinski's Rule of Five, Methane p-toluenesulphonate 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
What is the CAS number of Methane p-toluenesulphonate?
The CAS number of Methane p-toluenesulphonate is 5098-14-6.
What is the molecular formula of Methane p-toluenesulphonate?
The molecular formula of Methane p-toluenesulphonate is C8H12O3S.
What is the molecular weight of Methane p-toluenesulphonate?
The molecular weight of Methane p-toluenesulphonate is 188.05072 g/mol.
Where can I buy Methane p-toluenesulphonate?
You can request a quote for Methane p-toluenesulphonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methane p-toluenesulphonate?
Yes, CoreyChem provides custom synthesis services for Methane p-toluenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.