2,2-Dimethyl-5-(((1-methylethyl)thio)methylene)-1,3-dioxane-4,6-dione
TL;DR: 2,2-Dimethyl-5-(((1-methylethyl)thio)methylene)-1,3-dioxane-4,6-dione (CAS 128889-75-8) is a chemical compound with molecular formula C10H14O4S and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-(propan-2-ylsulfanylmethylidene)-1,3-dioxane-4,6-dione
Also Known As: 5-[(isopropylsulfanyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione, 2,2-dimethyl-5-[(propan-2-ylsulfanyl)methylidene]-1,3-dioxane-4,6-dione, 5-((Isopropylsulfanyl)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 2,2-dimethyl-5-(propan-2-ylsulfanylmethylidene)-1,3-dioxane-4,6-dione, 5-(isopropylsulfanylmethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
| Molecular Formula | C10H14O4S |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | 1.848 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.06128 |
| Heavy Atoms | 15 |
| Complexity | 295.38406 |
Chemical Identifiers
| CAS Number | 128889-75-8 |
|---|---|
| SMILES | CC(C)SC=C1C(=O)OC(OC1=O)(C)C |
Product Overview
2,2-Dimethyl-5-(((1-methylethyl)thio)methylene)-1,3-dioxane-4,6-dione (CAS 128889-75-8), with molecular formula C10H14O4S and molecular weight 230.06 g/mol. IUPAC: 2,2-dimethyl-5-(propan-2-ylsulfanylmethylidene)-1,3-dioxane-4,6-dione.
Chemical Property Profile of 2,2-Dimethyl-5-(((1-methylethyl)thio)methylene)-1,3-dioxane-4,6-dione
Property Insights of 2,2-Dimethyl-5-(((1-methylethyl)thio)methylene)-1,3-dioxane-4,6-dione
The XLogP value of 1.848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5-(((1-methylethyl)thio)methylene)-1,3-dioxane-4,6-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 2,2-Dimethyl-5-(((1-methylethyl)thio)methylene)-1,3-dioxane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-(((1-methylethyl)thio)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
Frequently Asked Questions
What is the CAS number of 2,2-Dimethyl-5-(((1-methylethyl)thio)methylene)-1,3-dioxane-4,6-dione?
The CAS number of 2,2-Dimethyl-5-(((1-methylethyl)thio)methylene)-1,3-dioxane-4,6-dione is 128889-75-8.
What is the molecular formula of 2,2-Dimethyl-5-(((1-methylethyl)thio)methylene)-1,3-dioxane-4,6-dione?
The molecular formula of 2,2-Dimethyl-5-(((1-methylethyl)thio)methylene)-1,3-dioxane-4,6-dione is C10H14O4S.
What is the molecular weight of 2,2-Dimethyl-5-(((1-methylethyl)thio)methylene)-1,3-dioxane-4,6-dione?
The molecular weight of 2,2-Dimethyl-5-(((1-methylethyl)thio)methylene)-1,3-dioxane-4,6-dione is 230.06 g/mol.
Where can I buy 2,2-Dimethyl-5-(((1-methylethyl)thio)methylene)-1,3-dioxane-4,6-dione?
You can request a quote for 2,2-Dimethyl-5-(((1-methylethyl)thio)methylene)-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 2,2-Dimethyl-5-(((1-methylethyl)thio)methylene)-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-5-(((1-methylethyl)thio)methylene)-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.