![S-[(2,6-dioxocyclohexyl)methyl] ethanethioate structure](/static/products/2385/23853-45-4.webp)
S-[(2,6-dioxocyclohexyl)methyl] ethanethioate
TL;DR: S-[(2,6-dioxocyclohexyl)methyl] ethanethioate (CAS 23853-45-4) is a chemical compound with molecular formula C9H12O3S and molecular weight 200.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(2,6-dioxocyclohexyl)methyl] ethanethioate
Also Known As: S-[(2,6-dioxocyclohexyl)methyl] ethanethioate
| Molecular Formula | C9H12O3S |
|---|---|
| Molecular Weight | 200.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.05072 |
| Heavy Atoms | 13 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 23853-45-4 |
|---|---|
| SMILES | CC(=O)SCC1C(=O)CCCC1=O |
| InChIKey | NIUCHIULPUGPSJ-UHFFFAOYSA-N |
Product Overview
S-[(2,6-dioxocyclohexyl)methyl] ethanethioate (CAS 23853-45-4), with molecular formula C9H12O3S and molecular weight 200.05 g/mol. IUPAC: S-[(2,6-dioxocyclohexyl)methyl] ethanethioate.
Chemical Property Profile of S-[(2,6-dioxocyclohexyl)methyl] ethanethioate
Property Insights of S-[(2,6-dioxocyclohexyl)methyl] ethanethioate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[(2,6-dioxocyclohexyl)methyl] ethanethioate. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for S-[(2,6-dioxocyclohexyl)methyl] ethanethioate. Following Lipinski's Rule of Five, S-[(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-[(2,6-dioxocyclohexyl)methyl] ethanethioate?
The CAS number of S-[(2,6-dioxocyclohexyl)methyl] ethanethioate is 23853-45-4.
What is the molecular formula of S-[(2,6-dioxocyclohexyl)methyl] ethanethioate?
The molecular formula of S-[(2,6-dioxocyclohexyl)methyl] ethanethioate is C9H12O3S.
What is the molecular weight of S-[(2,6-dioxocyclohexyl)methyl] ethanethioate?
The molecular weight of S-[(2,6-dioxocyclohexyl)methyl] ethanethioate is 200.05 g/mol.
Where can I buy S-[(2,6-dioxocyclohexyl)methyl] ethanethioate?
You can request a quote for S-[(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-[(2,6-dioxocyclohexyl)methyl] ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-[(2,6-dioxocyclohexyl)methyl] ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.