3-Thiomorpholinone, 2,2-diethyl-
TL;DR: 3-Thiomorpholinone, 2,2-diethyl- (CAS 69226-06-8) is a chemical compound with molecular formula C8H15NOS and molecular weight 173.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diethylthiomorpholin-3-one
Also Known As: 3-Thiomorpholinone, 2,2-diethyl-, 2,2-diethylthiomorpholin-3-one, 2,2-Diethyl-3-thiomorpholinone, 3-Thiomorpholinone,2-diethyl-, 2,2-diethyl-thiomorpholin-3-one
| Molecular Formula | C8H15NOS |
|---|---|
| Molecular Weight | 173.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.08743 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 69226-06-8 |
|---|---|
| SMILES | CCC1(C(=O)NCCS1)CC |
| InChIKey | PERBLUYSNRUQEQ-UHFFFAOYSA-N |
Product Overview
3-Thiomorpholinone, 2,2-diethyl- (CAS 69226-06-8), with molecular formula C8H15NOS and molecular weight 173.09 g/mol. IUPAC: 2,2-diethylthiomorpholin-3-one.
Chemical Property Profile of 3-Thiomorpholinone, 2,2-diethyl-
Property Insights of 3-Thiomorpholinone, 2,2-diethyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiomorpholinone, 2,2-diethyl-. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Thiomorpholinone, 2,2-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiomorpholinone, 2,2-diethyl- 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
Frequently Asked Questions
What is the CAS number of 3-Thiomorpholinone, 2,2-diethyl-?
The CAS number of 3-Thiomorpholinone, 2,2-diethyl- is 69226-06-8.
What is the molecular formula of 3-Thiomorpholinone, 2,2-diethyl-?
The molecular formula of 3-Thiomorpholinone, 2,2-diethyl- is C8H15NOS.
What is the molecular weight of 3-Thiomorpholinone, 2,2-diethyl-?
The molecular weight of 3-Thiomorpholinone, 2,2-diethyl- is 173.09 g/mol.
Where can I buy 3-Thiomorpholinone, 2,2-diethyl-?
You can request a quote for 3-Thiomorpholinone, 2,2-diethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiomorpholinone, 2,2-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiomorpholinone, 2,2-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.