3-Thiomorpholinone, 2,2-dimethyl-5-ethyl-
TL;DR: 3-Thiomorpholinone, 2,2-dimethyl-5-ethyl- (CAS 69226-12-6) is a chemical compound with molecular formula C8H15NOS and molecular weight 173.08743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethyl-2,2-dimethylthiomorpholin-3-one
Also Known As: Diethyl2-acetylglutarate, 3-Thiomorpholinone,2-dimethyl-, 3-Thiomorpholinone, 2,2-dimethyl-5-ethyl-, 5-ethyl-2,2-dimethylthiomorpholin-3-one, 2,2-Dimethyl-5-ethyl-3-thiomorpholinone
Technical Specifications
| Molecular Formula | C8H15NOS |
| Molecular Weight | 173.08743 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.08743 Da |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
| SMILES | CCC1CSC(C(=O)N1)(C)C |
| InChIKey | UYRUCWOYLKIGPJ-UHFFFAOYSA-N |
Chemical Property Profile of 3-Thiomorpholinone, 2,2-dimethyl-5-ethyl-
Property Insights of 3-Thiomorpholinone, 2,2-dimethyl-5-ethyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiomorpholinone, 2,2-dimethyl-5-ethyl-. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Thiomorpholinone, 2,2-dimethyl-5-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiomorpholinone, 2,2-dimethyl-5-ethyl- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Thiomorpholinone, 2,2-dimethyl-5-ethyl-?
The CAS number of 3-Thiomorpholinone, 2,2-dimethyl-5-ethyl- is 69226-12-6.
What is the molecular formula of 3-Thiomorpholinone, 2,2-dimethyl-5-ethyl-?
The molecular formula of 3-Thiomorpholinone, 2,2-dimethyl-5-ethyl- is C8H15NOS.
What is the molecular weight of 3-Thiomorpholinone, 2,2-dimethyl-5-ethyl-?
The molecular weight of 3-Thiomorpholinone, 2,2-dimethyl-5-ethyl- is 173.08743 g/mol.
Where can I buy 3-Thiomorpholinone, 2,2-dimethyl-5-ethyl-?
You can request a quote for 3-Thiomorpholinone, 2,2-dimethyl-5-ethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Thiomorpholinone, 2,2-dimethyl-5-ethyl-?
Yes, CoreyChem provides custom synthesis services for 3-Thiomorpholinone, 2,2-dimethyl-5-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.