![S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate structure](/static/products/2385/23853-44-3.webp)
S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate
TL;DR: S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate (CAS 23853-44-3) is a chemical compound with molecular formula C11H16O3S and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate
Also Known As: S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate
| Molecular Formula | C11H16O3S |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.08202 |
| Heavy Atoms | 15 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 23853-44-3 |
|---|---|
| SMILES | CC(=O)SCC1C(=O)CC(CC1=O)(C)C |
| InChIKey | HEFZLZFQRANIMD-UHFFFAOYSA-N |
Product Overview
S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate (CAS 23853-44-3), with molecular formula C11H16O3S and molecular weight 228.08 g/mol. IUPAC: S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate.
Chemical Property Profile of S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate
Property Insights of S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate. Following Lipinski's Rule of Five, S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate 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 S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate?
The CAS number of S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate is 23853-44-3.
What is the molecular formula of S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate?
The molecular formula of S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate is C11H16O3S.
What is the molecular weight of S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate?
The molecular weight of S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate is 228.08 g/mol.
Where can I buy S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate?
You can request a quote for S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.