2,2-Dimethyl-5-((phenylsulfanyl)methylene)-1,3-dioxane-4,6-dione
TL;DR: 2,2-Dimethyl-5-((phenylsulfanyl)methylene)-1,3-dioxane-4,6-dione (CAS 153498-12-5) is a chemical compound with molecular formula C13H12O4S and molecular weight 264.04562 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-5-(phenylsulfanylmethylidene)-1,3-dioxane-4,6-dione
Also Known As: 1L-368S, 5-phenylthiomethylene (Meldrum's acid), 2,2-dimethyl-5-[(phenylsulfanyl)methylidene]-1,3-dioxane-4,6-dione, 2,2-dimethyl-5-[(phenylsulfanyl)methylene]-1,3-dioxane-4,6-dione, 2,2-Dimethyl-5-((phenylsulfanyl)methylene)-1,3-dioxane-4,6-dione
Technical Specifications
| Molecular Formula | C13H12O4S |
| Molecular Weight | 264.04562 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.04562 Da |
| Heavy Atoms | 18 |
| Complexity | 358.0 |
| SMILES | CC1(OC(=O)C(=CSC2=CC=CC=C2)C(=O)O1)C |
| InChIKey | BBVVJBWABOEYHL-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-Dimethyl-5-((phenylsulfanyl)methylene)-1,3-dioxane-4,6-dione
Property Insights of 2,2-Dimethyl-5-((phenylsulfanyl)methylene)-1,3-dioxane-4,6-dione
The XLogP value of 3.0 indicates that 2,2-Dimethyl-5-((phenylsulfanyl)methylene)-1,3-dioxane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-5-((phenylsulfanyl)methylene)-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-((phenylsulfanyl)methylene)-1,3-dioxane-4,6-dione 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
What is the CAS number of 2,2-Dimethyl-5-((phenylsulfanyl)methylene)-1,3-dioxane-4,6-dione?
The CAS number of 2,2-Dimethyl-5-((phenylsulfanyl)methylene)-1,3-dioxane-4,6-dione is 153498-12-5.
What is the molecular formula of 2,2-Dimethyl-5-((phenylsulfanyl)methylene)-1,3-dioxane-4,6-dione?
The molecular formula of 2,2-Dimethyl-5-((phenylsulfanyl)methylene)-1,3-dioxane-4,6-dione is C13H12O4S.
What is the molecular weight of 2,2-Dimethyl-5-((phenylsulfanyl)methylene)-1,3-dioxane-4,6-dione?
The molecular weight of 2,2-Dimethyl-5-((phenylsulfanyl)methylene)-1,3-dioxane-4,6-dione is 264.04562 g/mol.
Where can I buy 2,2-Dimethyl-5-((phenylsulfanyl)methylene)-1,3-dioxane-4,6-dione?
You can request a quote for 2,2-Dimethyl-5-((phenylsulfanyl)methylene)-1,3-dioxane-4,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-Dimethyl-5-((phenylsulfanyl)methylene)-1,3-dioxane-4,6-dione?
Yes, CoreyChem provides custom synthesis services for 2,2-Dimethyl-5-((phenylsulfanyl)methylene)-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.