![S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate structure](/static/products/2385/23853-39-6.webp)
S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate
TL;DR: S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate (CAS 23853-39-6) is a chemical compound with molecular formula C16H18O3S and molecular weight 290.10 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] benzenecarbothioate
Also Known As: S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate, Benzenecarbothioic acid, S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] ester, S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothi, Benzenecarbothioic acid,4-dimethyl-2,6-dioxocyclohexyl)methyl] ester
| Molecular Formula | C16H18O3S |
|---|---|
| Molecular Weight | 290.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.09766 |
| Heavy Atoms | 20 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 23853-39-6 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)CSC(=O)C2=CC=CC=C2)C |
| InChIKey | IJJXLHWGTCEJMS-UHFFFAOYSA-N |
Product Overview
S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate (CAS 23853-39-6), with molecular formula C16H18O3S and molecular weight 290.10 g/mol. IUPAC: S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate.
Chemical Property Profile of S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate
Property Insights of S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate. 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] benzenecarbothioate. Following Lipinski's Rule of Five, S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate 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] benzenecarbothioate?
The CAS number of S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate is 23853-39-6.
What is the molecular formula of S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate?
The molecular formula of S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate is C16H18O3S.
What is the molecular weight of S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate?
The molecular weight of S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate is 290.10 g/mol.
Where can I buy S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate?
You can request a quote for S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate 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] benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl] benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.