2,4,6-Trinitrobenzene Sulfonate
TL;DR: 2,4,6-Trinitrobenzene Sulfonate (CAS 16655-63-3) is a chemical compound with molecular formula C6H2N3O9S- and molecular weight 291.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trinitrobenzenesulfonate
Also Known As: Picrylsulfonic Acid, Picryl sulfonic acid, TNBS, 2,4,6-Trinitrobenzene Sulfonate, 2,4,6-trinitrobenzenesulfonate
| Molecular Formula | C6H2N3O9S- |
|---|---|
| Molecular Weight | 291.95 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 291.95117 |
| Heavy Atoms | 19 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 16655-63-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NHJVRSWLHSJWIN-UHFFFAOYSA-M |
Product Overview
2,4,6-Trinitrobenzene Sulfonate (CAS 16655-63-3), with molecular formula C6H2N3O9S- and molecular weight 291.95 g/mol. IUPAC: 2,4,6-trinitrobenzenesulfonate.
Chemical Property Profile of 2,4,6-Trinitrobenzene Sulfonate
Property Insights of 2,4,6-Trinitrobenzene Sulfonate
The XLogP value of -0.6 indicates that 2,4,6-Trinitrobenzene Sulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 203.0 Ų indicates high polarity, suggesting 2,4,6-Trinitrobenzene Sulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitrobenzene Sulfonate has 0 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 2,4,6-Trinitrobenzene Sulfonate?
The CAS number of 2,4,6-Trinitrobenzene Sulfonate is 16655-63-3.
What is the molecular formula of 2,4,6-Trinitrobenzene Sulfonate?
The molecular formula of 2,4,6-Trinitrobenzene Sulfonate is C6H2N3O9S-.
What is the molecular weight of 2,4,6-Trinitrobenzene Sulfonate?
The molecular weight of 2,4,6-Trinitrobenzene Sulfonate is 291.95 g/mol.
Where can I buy 2,4,6-Trinitrobenzene Sulfonate?
You can request a quote for 2,4,6-Trinitrobenzene Sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitrobenzene Sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrobenzene Sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.