2-Ethyl-6-pentan-2-ylthiomorpholine-3,5-dione
TL;DR: 2-Ethyl-6-pentan-2-ylthiomorpholine-3,5-dione (CAS 100400-90-6) is a chemical compound with molecular formula C11H19NO2S and molecular weight 229.11365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyl-6-pentan-2-ylthiomorpholine-3,5-dione
Also Known As: NCIOpen2_005301, 2-ethyl-6-pentan-2-ylthiomorpholine-3,5-dione, 2-ethyl-6-(pentan-2-yl)thiomorpholine-3,5-dione, 2-ethyl-6-(1-methyl-butyl)-thiomorpholine-3,5-dione
Technical Specifications
| Molecular Formula | C11H19NO2S |
| Molecular Weight | 229.11365 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.11365 Da |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
| SMILES | CCCC(C)C1C(=O)NC(=O)C(S1)CC |
| InChIKey | CYXCIDXCMKRIHJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethyl-6-pentan-2-ylthiomorpholine-3,5-dione
Property Insights of 2-Ethyl-6-pentan-2-ylthiomorpholine-3,5-dione
The XLogP value of 3.0 indicates that 2-Ethyl-6-pentan-2-ylthiomorpholine-3,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-6-pentan-2-ylthiomorpholine-3,5-dione. Following Lipinski's Rule of Five, 2-Ethyl-6-pentan-2-ylthiomorpholine-3,5-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Ethyl-6-pentan-2-ylthiomorpholine-3,5-dione?
The CAS number of 2-Ethyl-6-pentan-2-ylthiomorpholine-3,5-dione is 100400-90-6.
What is the molecular formula of 2-Ethyl-6-pentan-2-ylthiomorpholine-3,5-dione?
The molecular formula of 2-Ethyl-6-pentan-2-ylthiomorpholine-3,5-dione is C11H19NO2S.
What is the molecular weight of 2-Ethyl-6-pentan-2-ylthiomorpholine-3,5-dione?
The molecular weight of 2-Ethyl-6-pentan-2-ylthiomorpholine-3,5-dione is 229.11365 g/mol.
Where can I buy 2-Ethyl-6-pentan-2-ylthiomorpholine-3,5-dione?
You can request a quote for 2-Ethyl-6-pentan-2-ylthiomorpholine-3,5-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethyl-6-pentan-2-ylthiomorpholine-3,5-dione?
Yes, CoreyChem provides custom synthesis services for 2-Ethyl-6-pentan-2-ylthiomorpholine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.