Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid
TL;DR: Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid (CAS 2870-25-9) is a chemical compound with molecular formula C15H16N3O9S2+ and molecular weight 446.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-(4-methylphenyl)sulfanium;2,4,6-trinitrobenzenesulfonic acid
Also Known As: Sulfonium, dimethyl-p-tolyl-, 2,4,6-trinitrobenzenesulfonte, dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid, dimethyl-(4-methylphenyl)sulfanium; 2,4,6-trinitrobenzenesulfonic acid, 2,4,6-Tris(hydroxy(oxido)amino)benzenesulfonic acid compound with 1-(dimethyl-lambda~4~-sulfanyl)-4-methylbenzene (1:1)
| Molecular Formula | C15H16N3O9S2+ |
|---|---|
| Molecular Weight | 446.03 g/mol |
| LogP | 2.88972 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 446.0328 |
| Heavy Atoms | 29 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 2870-25-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)[S+](C)C.C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | AVSCCTYPDCTQFC-UHFFFAOYSA-N |
Product Overview
Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid (CAS 2870-25-9), with molecular formula C15H16N3O9S2+ and molecular weight 446.03 g/mol. IUPAC: dimethyl-(4-methylphenyl)sulfanium;2,4,6-trinitrobenzenesulfonic acid.
Chemical Property Profile of Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid
Property Insights of Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid
The XLogP value of 2.88972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid. The TPSA of 201.0 Ų indicates high polarity, suggesting Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid has 1 hydrogen bond donor(s) and 9 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 Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid?
The CAS number of Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid is 2870-25-9.
What is the molecular formula of Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid?
The molecular formula of Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid is C15H16N3O9S2+.
What is the molecular weight of Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid?
The molecular weight of Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid is 446.03 g/mol.
Where can I buy Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid?
You can request a quote for Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.