2,2-Diethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol
TL;DR: 2,2-Diethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol (CAS 69226-10-4) is a chemical compound with molecular formula C9H17NOS and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diethyl-5-methylmorpholine-3-thione
Also Known As: 2,2-Diethyl-5-methyl-3-thiomorpholinone, 3-Thiomorpholinone, 2,2-diethyl-5-methyl-, 2,2-diethyl-5-methylmorpholine-3-thione, 2,2-Diethyl-5-methylthiomorpholin-3-one, 4-27-00-02575 (Beilstein Handbook Reference)
| Molecular Formula | C9H17NOS |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 1.8809 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.10309 |
| Heavy Atoms | 12 |
| Complexity | 177.36736 |
Chemical Identifiers
| CAS Number | 69226-10-4 |
|---|---|
| SMILES | CCC1(C(=S)NC(CO1)C)CC |
Product Overview
2,2-Diethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol (CAS 69226-10-4), with molecular formula C9H17NOS and molecular weight 187.10 g/mol. IUPAC: 2,2-diethyl-5-methylmorpholine-3-thione.
Chemical Property Profile of 2,2-Diethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol
Property Insights of 2,2-Diethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol
The XLogP value of 1.8809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Diethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol. With a topological polar surface area (TPSA) of 21.26 Ų, 2,2-Diethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Diethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol 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 2,2-Diethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol?
The CAS number of 2,2-Diethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol is 69226-10-4.
What is the molecular formula of 2,2-Diethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol?
The molecular formula of 2,2-Diethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol is C9H17NOS.
What is the molecular weight of 2,2-Diethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol?
The molecular weight of 2,2-Diethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol is 187.10 g/mol.
Where can I buy 2,2-Diethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol?
You can request a quote for 2,2-Diethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.