Dithianon
TL;DR: Dithianon (CAS 3347-22-6) is a chemical compound with molecular formula C14H4N2O2S2 and molecular weight 295.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile
Also Known As: DITHIANON, Delan, Dithianone, Thynon, Merkdelan
| Molecular Formula | C14H4N2O2S2 |
|---|---|
| Molecular Weight | 295.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 295.9714 |
| Heavy Atoms | 20 |
| Complexity | 628.0 |
| Melting Point | 220 °C |
| Density | 1.58 g/cu cm at 20 °C |
| Solubility | Sol in dioxane, chlorobenzene |
| Flash Point | Ignition temperature >300 °C |
| Vapor Pressure | 2.03X10-11 mm Hg at 25 °C |
Chemical Identifiers
| CAS Number | 3347-22-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N |
| InChIKey | PYZSVQVRHDXQSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dithianon (CAS 3347-22-6), with molecular formula C14H4N2O2S2 and molecular weight 295.97 g/mol. IUPAC: 5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile.
Chemical Property Profile of Dithianon
Property Insights of Dithianon
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dithianon. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dithianon. Following Lipinski's Rule of Five, Dithianon has 0 hydrogen bond donor(s) and 6 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 Dithianon?
The CAS number of Dithianon is 3347-22-6.
What is the molecular formula of Dithianon?
The molecular formula of Dithianon is C14H4N2O2S2.
What is the molecular weight of Dithianon?
The molecular weight of Dithianon is 295.97 g/mol.
Where can I buy Dithianon?
You can request a quote for Dithianon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithianon?
Yes, KEHONG BIO provides custom synthesis services for Dithianon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.