![S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate structure](/static/products/9429/94293-57-9.webp)
S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate
TL;DR: S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate (CAS 94293-57-9) is a chemical compound with molecular formula C12H20O2S and molecular weight 228.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[2-[(1S)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate
Also Known As: Menthone-8-thioacetate, 8-Acetylthio-p-menthan-3-one, 3-Oxo-p-menthane-8-thiyl acetate, 8-acetyl thio-para-menthan-3-one, S-(1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl) ethanethioate
| Molecular Formula | C12H20O2S |
|---|---|
| Molecular Weight | 228.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.11841 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 94293-57-9 |
|---|---|
| SMILES | CC1CC[C@H](C(=O)C1)C(C)(C)OC(=S)C |
| InChIKey | ICHFAYSVCHABJK-LHIURRSHSA-N |
Product Overview
S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate (CAS 94293-57-9), with molecular formula C12H20O2S and molecular weight 228.12 g/mol. IUPAC: O-[2-[(1S)-4-methyl-2-oxocyclohexyl]propan-2-yl] ethanethioate.
Chemical Property Profile of S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate
Property Insights of S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate. With a topological polar surface area (TPSA) of 58.4 Ų, S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate has 0 hydrogen bond donor(s) and 3 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-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate?
The CAS number of S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate is 94293-57-9.
What is the molecular formula of S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate?
The molecular formula of S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate is C12H20O2S.
What is the molecular weight of S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate?
The molecular weight of S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate is 228.12 g/mol.
Where can I buy S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate?
You can request a quote for S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-[1-Methyl-1-(4-methyl-2-oxocyclohexyl)ethyl] ethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.