(2-Ethyl-3,6-dimethylthian-4-yl) acetate
TL;DR: (2-Ethyl-3,6-dimethylthian-4-yl) acetate (CAS 462065-53-8) is a chemical compound with molecular formula C11H20O2S and molecular weight 216.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-ethyl-3,6-dimethylthian-4-yl) acetate
Also Known As: (2-ethyl-3,6-dimethylthian-4-yl) acetate, (2-ethyl-3,6-dimethyl-thian-4-yl) Acetate, 2H-Thiopyran-4-ol, 2-ethyltetrahydro-3,6-dimethyl-, acetate (9CI), 2H-Thiopyran-4-ol,2-ethyltetrahydro-3,6-dimethyl-,acetate(9CI)
| Molecular Formula | C11H20O2S |
|---|---|
| Molecular Weight | 216.12 g/mol |
| LogP | 2.8582 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.11841 |
| Heavy Atoms | 14 |
| Complexity | 205.46422 |
Chemical Identifiers
| CAS Number | 462065-53-8 |
|---|---|
| SMILES | CCC1C(C(CC(S1)C)OC(=O)C)C |
Product Overview
(2-Ethyl-3,6-dimethylthian-4-yl) acetate (CAS 462065-53-8), with molecular formula C11H20O2S and molecular weight 216.12 g/mol. IUPAC: (2-ethyl-3,6-dimethylthian-4-yl) acetate.
Chemical Property Profile of (2-Ethyl-3,6-dimethylthian-4-yl) acetate
Property Insights of (2-Ethyl-3,6-dimethylthian-4-yl) acetate
The XLogP value of 2.8582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Ethyl-3,6-dimethylthian-4-yl) acetate. With a topological polar surface area (TPSA) of 26.3 Ų, (2-Ethyl-3,6-dimethylthian-4-yl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Ethyl-3,6-dimethylthian-4-yl) acetate 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 (2-Ethyl-3,6-dimethylthian-4-yl) acetate?
The CAS number of (2-Ethyl-3,6-dimethylthian-4-yl) acetate is 462065-53-8.
What is the molecular formula of (2-Ethyl-3,6-dimethylthian-4-yl) acetate?
The molecular formula of (2-Ethyl-3,6-dimethylthian-4-yl) acetate is C11H20O2S.
What is the molecular weight of (2-Ethyl-3,6-dimethylthian-4-yl) acetate?
The molecular weight of (2-Ethyl-3,6-dimethylthian-4-yl) acetate is 216.12 g/mol.
Where can I buy (2-Ethyl-3,6-dimethylthian-4-yl) acetate?
You can request a quote for (2-Ethyl-3,6-dimethylthian-4-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Ethyl-3,6-dimethylthian-4-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (2-Ethyl-3,6-dimethylthian-4-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.