![5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione structure](/static/products/1009/100981-05-3.webp)
5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 100981-05-3) is a chemical compound with molecular formula C9H12O4S2 and molecular weight 248.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 5-(bis(methylthio)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione, Meldrum's Acid Conjugate Acceptor, 5-[bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione, Thiazole, 2-bromo-4-methyl-, 5-[bis(methylsulfanyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
| Molecular Formula | C9H12O4S2 |
|---|---|
| Molecular Weight | 248.02 g/mol |
| LogP | 1.7601 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.0177 |
| Heavy Atoms | 15 |
| Complexity | 305.00406 |
Chemical Identifiers
| CAS Number | 100981-05-3 |
|---|---|
| SMILES | CC1(OC(=O)C(=C(SC)SC)C(=O)O1)C |
Product Overview
5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 100981-05-3), with molecular formula C9H12O4S2 and molecular weight 248.02 g/mol. IUPAC: 5-[bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of 1.7601 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione has 0 hydrogen bond donor(s) and 6 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 5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is 100981-05-3.
What is the molecular formula of 5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is C9H12O4S2.
What is the molecular weight of 5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is 248.02 g/mol.
Where can I buy 5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[Bis(methylsulfanyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.