![1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]- structure](/static/products/1121/112182-59-9.webp)
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]-
TL;DR: 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]- (CAS 112182-59-9) is a chemical compound with molecular formula C9H12O4S and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-(1-methylsulfanylethylidene)-1,3-dioxane-4,6-dione
Also Known As: 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]-, 2,2-dimethyl-5-(1-methylsulfanylethylidene)-1,3-dioxane-4,6-dione, AN-651/11538846, 2,2-dimethyl-5-[1-(methylsulfanyl)ethylidene]-1,3-dioxane-4,6-dione, 2,2-Dimethyl-5-(1-(methylthio)ethylidene)-1,3-dioxane-4,6-dione
| Molecular Formula | C9H12O4S |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 1.4595 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.04562 |
| Heavy Atoms | 14 |
| Complexity | 294.77365 |
Chemical Identifiers
| CAS Number | 112182-59-9 |
|---|---|
| SMILES | CC(=C1C(=O)OC(OC1=O)(C)C)SC |
Product Overview
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]- (CAS 112182-59-9), with molecular formula C9H12O4S and molecular weight 216.05 g/mol. IUPAC: 2,2-dimethyl-5-(1-methylsulfanylethylidene)-1,3-dioxane-4,6-dione.
Chemical Property Profile of 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]-
Property Insights of 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]-
The XLogP value of 1.4595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]-. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]- has 0 hydrogen bond donor(s) and 5 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-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]-?
The CAS number of 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]- is 112182-59-9.
What is the molecular formula of 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]-?
The molecular formula of 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]- is C9H12O4S.
What is the molecular weight of 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]-?
The molecular weight of 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]- is 216.05 g/mol.
Where can I buy 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]-?
You can request a quote for 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[1-(methylthio)ethylidene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.