3-Thiomorpholinone, 5,5-dimethyl-2-propyl-
TL;DR: 3-Thiomorpholinone, 5,5-dimethyl-2-propyl- (CAS 69226-14-8) 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.
5,5-dimethyl-2-propylthiomorpholin-3-one
Also Known As: 3-Thiomorpholinone, 5,5-dimethyl-2-propyl-, 5,5-dimethyl-2-propylthiomorpholin-3-one, 5,5-Dimethyl-2-propyl-3-thiomorpholinone, 3-Thiomorpholinone,5-dimethyl-2-propyl-, 5,5-dimethyl-2-propyl-thiomorpholin-3-one
| Molecular Formula | C9H17NOS |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.10309 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 69226-14-8 |
|---|---|
| SMILES | CCCC1C(=O)NC(CS1)(C)C |
| InChIKey | FYMIKCFMJOMLNE-UHFFFAOYSA-N |
Product Overview
3-Thiomorpholinone, 5,5-dimethyl-2-propyl- (CAS 69226-14-8), with molecular formula C9H17NOS and molecular weight 187.10 g/mol. IUPAC: 5,5-dimethyl-2-propylthiomorpholin-3-one.
Chemical Property Profile of 3-Thiomorpholinone, 5,5-dimethyl-2-propyl-
Property Insights of 3-Thiomorpholinone, 5,5-dimethyl-2-propyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiomorpholinone, 5,5-dimethyl-2-propyl-. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Thiomorpholinone, 5,5-dimethyl-2-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiomorpholinone, 5,5-dimethyl-2-propyl- 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, 5,5-dimethyl-2-propyl-?
The CAS number of 3-Thiomorpholinone, 5,5-dimethyl-2-propyl- is 69226-14-8.
What is the molecular formula of 3-Thiomorpholinone, 5,5-dimethyl-2-propyl-?
The molecular formula of 3-Thiomorpholinone, 5,5-dimethyl-2-propyl- is C9H17NOS.
What is the molecular weight of 3-Thiomorpholinone, 5,5-dimethyl-2-propyl-?
The molecular weight of 3-Thiomorpholinone, 5,5-dimethyl-2-propyl- is 187.10 g/mol.
Where can I buy 3-Thiomorpholinone, 5,5-dimethyl-2-propyl-?
You can request a quote for 3-Thiomorpholinone, 5,5-dimethyl-2-propyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiomorpholinone, 5,5-dimethyl-2-propyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiomorpholinone, 5,5-dimethyl-2-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.