![2-[Bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione structure](/static/products/671/67106-61-0.png)
2-[Bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione
TL;DR: 2-[Bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione (CAS 67106-61-0) is a chemical compound with molecular formula C11H16O2S2 and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-[Bis(methylthio)methylene]-5,5-dimethyl-1,3-cyclohexanedione, 2-[bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C11H16O2S2 |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.05917 |
| Heavy Atoms | 15 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 67106-61-0 |
|---|---|
| SMILES | CC1(CC(=O)C(=C(SC)SC)C(=O)C1)C |
| InChIKey | KNRBERJZMALQBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[Bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione (CAS 67106-61-0), with molecular formula C11H16O2S2 and molecular weight 244.06 g/mol. IUPAC: 2-[bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 2-[Bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione
Property Insights of 2-[Bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[Bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[Bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione. Following Lipinski's Rule of Five, 2-[Bis(methylsulfanyl)methylidene]-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-[Bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione?
The CAS number of 2-[Bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione is 67106-61-0.
What is the molecular formula of 2-[Bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione?
The molecular formula of 2-[Bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione is C11H16O2S2.
What is the molecular weight of 2-[Bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione?
The molecular weight of 2-[Bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione is 244.06 g/mol.
Where can I buy 2-[Bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione?
You can request a quote for 2-[Bis(methylsulfanyl)methylidene]-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-[Bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[Bis(methylsulfanyl)methylidene]-5,5-dimethylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.