Dithiine-3,6-dicarbaldehyde
TL;DR: Dithiine-3,6-dicarbaldehyde (CAS 122243-48-5) is a chemical compound with molecular formula C6H4O2S2 and molecular weight 171.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dithiine-3,6-dicarbaldehyde
Also Known As: dithiine-3,6-dicarbaldehyde, 1,2-Dithiin-3,6-dicarbaldehyde, 1,2-Dithiin-3,6-dicarboxaldehyde, 1,2-dithiine-3,6-dicarbaldehyde
| Molecular Formula | C6H4O2S2 |
|---|---|
| Molecular Weight | 171.97 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.96527 |
| Heavy Atoms | 10 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 122243-48-5 |
|---|---|
| SMILES | C1=C(SSC(=C1)C=O)C=O |
| InChIKey | LKGFORKQYBXVEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dithiine-3,6-dicarbaldehyde (CAS 122243-48-5), with molecular formula C6H4O2S2 and molecular weight 171.97 g/mol. IUPAC: dithiine-3,6-dicarbaldehyde.
Chemical Property Profile of Dithiine-3,6-dicarbaldehyde
Property Insights of Dithiine-3,6-dicarbaldehyde
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dithiine-3,6-dicarbaldehyde. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dithiine-3,6-dicarbaldehyde. Following Lipinski's Rule of Five, Dithiine-3,6-dicarbaldehyde has 0 hydrogen bond donor(s) and 4 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 Dithiine-3,6-dicarbaldehyde?
The CAS number of Dithiine-3,6-dicarbaldehyde is 122243-48-5.
What is the molecular formula of Dithiine-3,6-dicarbaldehyde?
The molecular formula of Dithiine-3,6-dicarbaldehyde is C6H4O2S2.
What is the molecular weight of Dithiine-3,6-dicarbaldehyde?
The molecular weight of Dithiine-3,6-dicarbaldehyde is 171.97 g/mol.
Where can I buy Dithiine-3,6-dicarbaldehyde?
You can request a quote for Dithiine-3,6-dicarbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithiine-3,6-dicarbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Dithiine-3,6-dicarbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.