3-Acetyl-1,2-dithiolane
TL;DR: 3-Acetyl-1,2-dithiolane (CAS 89712-89-0) is a chemical compound with molecular formula C5H8OS2 and molecular weight 148.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(dithiolan-3-yl)ethanone
Also Known As: 3-acetyl-1,2-dithiolane, Ethanone,1- -, 1,2-Dithiolane, 3-acetyl, 1-(dithiolan-3-yl)ethanone, 1-(1,2-dithiolan-3-yl)ethan-1-one
| Molecular Formula | C5H8OS2 |
|---|---|
| Molecular Weight | 148.00 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.00166 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 89712-89-0 |
|---|---|
| SMILES | CC(=O)C1CCSS1 |
| InChIKey | OEBJHVCWENCTLE-UHFFFAOYSA-N |
Product Overview
3-Acetyl-1,2-dithiolane (CAS 89712-89-0), with molecular formula C5H8OS2 and molecular weight 148.00 g/mol. IUPAC: 1-(dithiolan-3-yl)ethanone.
Chemical Property Profile of 3-Acetyl-1,2-dithiolane
Property Insights of 3-Acetyl-1,2-dithiolane
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-1,2-dithiolane. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-1,2-dithiolane. Following Lipinski's Rule of Five, 3-Acetyl-1,2-dithiolane 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 3-Acetyl-1,2-dithiolane?
The CAS number of 3-Acetyl-1,2-dithiolane is 89712-89-0.
What is the molecular formula of 3-Acetyl-1,2-dithiolane?
The molecular formula of 3-Acetyl-1,2-dithiolane is C5H8OS2.
What is the molecular weight of 3-Acetyl-1,2-dithiolane?
The molecular weight of 3-Acetyl-1,2-dithiolane is 148.00 g/mol.
Where can I buy 3-Acetyl-1,2-dithiolane?
You can request a quote for 3-Acetyl-1,2-dithiolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-1,2-dithiolane?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-1,2-dithiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.