3-Thiomorpholinone, 2-isopropyl-
TL;DR: 3-Thiomorpholinone, 2-isopropyl- (CAS 69226-19-3) is a chemical compound with molecular formula C7H13NOS and molecular weight 159.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-ylmorpholine-3-thione
Also Known As: 2-Isopropyl-3-thiomorpholinone, 3-Thiomorpholinone, 2-isopropyl-, 2-propan-2-ylmorpholine-3-thione, 3-Thiomorpholinone, 2-(1-methylethyl)-, 4-27-00-02571 (Beilstein Handbook Reference)
| Molecular Formula | C7H13NOS |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 0.9582 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.0718 |
| Heavy Atoms | 10 |
| Complexity | 135.5678 |
Chemical Identifiers
| CAS Number | 69226-19-3 |
|---|---|
| SMILES | CC(C)C1C(=S)NCCO1 |
Product Overview
3-Thiomorpholinone, 2-isopropyl- (CAS 69226-19-3), with molecular formula C7H13NOS and molecular weight 159.07 g/mol. IUPAC: 2-propan-2-ylmorpholine-3-thione.
Chemical Property Profile of 3-Thiomorpholinone, 2-isopropyl-
Property Insights of 3-Thiomorpholinone, 2-isopropyl-
The XLogP value of 0.9582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiomorpholinone, 2-isopropyl-. With a topological polar surface area (TPSA) of 21.26 Ų, 3-Thiomorpholinone, 2-isopropyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thiomorpholinone, 2-isopropyl- 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-isopropyl-?
The CAS number of 3-Thiomorpholinone, 2-isopropyl- is 69226-19-3.
What is the molecular formula of 3-Thiomorpholinone, 2-isopropyl-?
The molecular formula of 3-Thiomorpholinone, 2-isopropyl- is C7H13NOS.
What is the molecular weight of 3-Thiomorpholinone, 2-isopropyl-?
The molecular weight of 3-Thiomorpholinone, 2-isopropyl- is 159.07 g/mol.
Where can I buy 3-Thiomorpholinone, 2-isopropyl-?
You can request a quote for 3-Thiomorpholinone, 2-isopropyl- 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-isopropyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiomorpholinone, 2-isopropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.