2-(1,3-Dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione
TL;DR: 2-(1,3-Dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione (CAS 2957-38-2) is a chemical compound with molecular formula C11H14O2S2 and molecular weight 242.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-(1,3-dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione, AA-516/25012141, 5,5-dimethyl-2-(1,3-dithiolan-2-ylidene)cyclohexane-1,3-dione
| Molecular Formula | C11H14O2S2 |
|---|---|
| Molecular Weight | 242.04 g/mol |
| LogP | 2.6362 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.04352 |
| Heavy Atoms | 15 |
| Complexity | 325.59943 |
Chemical Identifiers
| CAS Number | 2957-38-2 |
|---|---|
| SMILES | CC1(CC(=O)C(=C2SCCS2)C(=O)C1)C |
Product Overview
2-(1,3-Dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione (CAS 2957-38-2), with molecular formula C11H14O2S2 and molecular weight 242.04 g/mol. IUPAC: 2-(1,3-dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 2-(1,3-Dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione
Property Insights of 2-(1,3-Dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione
The XLogP value of 2.6362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 34.14 Ų, 2-(1,3-Dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione 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 2-(1,3-Dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione?
The CAS number of 2-(1,3-Dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione is 2957-38-2.
What is the molecular formula of 2-(1,3-Dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione?
The molecular formula of 2-(1,3-Dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione is C11H14O2S2.
What is the molecular weight of 2-(1,3-Dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione?
The molecular weight of 2-(1,3-Dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione is 242.04 g/mol.
Where can I buy 2-(1,3-Dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione?
You can request a quote for 2-(1,3-Dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dithiolan-2-ylidene)-5,5-dimethylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.