1,3-Dithiolane-1,1,3,3-tetraoxide
TL;DR: 1,3-Dithiolane-1,1,3,3-tetraoxide (CAS 26413-19-4) is a chemical compound with molecular formula C3H6O4S2 and molecular weight 169.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dithiolane 1,1,3,3-tetraoxide
Also Known As: 1,3-Dithiolane-1,1,3,3-tetraoxide, 1,3-dithiolane 1,1,3,3-tetraoxide, 1,3-dithiolane-1,1,3,3-tetraone, 1,3-Dithiolane,1,1,3,3-tetraoxide, 1,3-Dithiacyclopentane, 1,1,3,3-tetraoxide-
| Molecular Formula | C3H6O4S2 |
|---|---|
| Molecular Weight | 169.97 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.97075 |
| Heavy Atoms | 9 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 26413-19-4 |
|---|---|
| SMILES | C1CS(=O)(=O)CS1(=O)=O |
| InChIKey | DQLOTKZORORBPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dithiolane-1,1,3,3-tetraoxide (CAS 26413-19-4), with molecular formula C3H6O4S2 and molecular weight 169.97 g/mol. IUPAC: 1,3-dithiolane 1,1,3,3-tetraoxide.
Chemical Property Profile of 1,3-Dithiolane-1,1,3,3-tetraoxide
Property Insights of 1,3-Dithiolane-1,1,3,3-tetraoxide
The XLogP value of -1.2 indicates that 1,3-Dithiolane-1,1,3,3-tetraoxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithiolane-1,1,3,3-tetraoxide. Following Lipinski's Rule of Five, 1,3-Dithiolane-1,1,3,3-tetraoxide 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 1,3-Dithiolane-1,1,3,3-tetraoxide?
The CAS number of 1,3-Dithiolane-1,1,3,3-tetraoxide is 26413-19-4.
What is the molecular formula of 1,3-Dithiolane-1,1,3,3-tetraoxide?
The molecular formula of 1,3-Dithiolane-1,1,3,3-tetraoxide is C3H6O4S2.
What is the molecular weight of 1,3-Dithiolane-1,1,3,3-tetraoxide?
The molecular weight of 1,3-Dithiolane-1,1,3,3-tetraoxide is 169.97 g/mol.
Where can I buy 1,3-Dithiolane-1,1,3,3-tetraoxide?
You can request a quote for 1,3-Dithiolane-1,1,3,3-tetraoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithiolane-1,1,3,3-tetraoxide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiolane-1,1,3,3-tetraoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.