1,3-Dithiolan-2-one
TL;DR: 1,3-Dithiolan-2-one (CAS 2080-58-2) is a chemical compound with molecular formula C3H4OS2 and molecular weight 119.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dithiolan-2-one
Also Known As: 1,3-Dithiolan-2-one, 2-Dithiolone, 1,3-Dithiacyclopentane-2-one, [1,3]dithiolan-2-one, RefChem:72838
| Molecular Formula | C3H4OS2 |
|---|---|
| Molecular Weight | 119.97 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 119.97036 |
| Heavy Atoms | 6 |
| Complexity | 63.0 |
Chemical Identifiers
| CAS Number | 2080-58-2 |
|---|---|
| SMILES | C1CSC(=O)S1 |
| InChIKey | ZBEWVJOWXJNDGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dithiolan-2-one (CAS 2080-58-2), with molecular formula C3H4OS2 and molecular weight 119.97 g/mol. IUPAC: 1,3-dithiolan-2-one.
Chemical Property Profile of 1,3-Dithiolan-2-one
Property Insights of 1,3-Dithiolan-2-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dithiolan-2-one. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dithiolan-2-one. Following Lipinski's Rule of Five, 1,3-Dithiolan-2-one has 0 hydrogen bond donor(s) and 3 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-Dithiolan-2-one?
The CAS number of 1,3-Dithiolan-2-one is 2080-58-2.
What is the molecular formula of 1,3-Dithiolan-2-one?
The molecular formula of 1,3-Dithiolan-2-one is C3H4OS2.
What is the molecular weight of 1,3-Dithiolan-2-one?
The molecular weight of 1,3-Dithiolan-2-one is 119.97 g/mol.
Where can I buy 1,3-Dithiolan-2-one?
You can request a quote for 1,3-Dithiolan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dithiolan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dithiolan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.