3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione
TL;DR: 3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione (CAS 74037-78-8) is a chemical compound with molecular formula C13H25NOS and molecular weight 243.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethyl-1-morpholin-4-ylhexane-1-thione
Also Known As: NCIOpen2_004580, 4-(3,5,5-Trimethylthiohexanoyl)morpholine, Morpholine, 4-(3,5,5-trimethyl-1-thioxohexyl)-, 4-(3,5-Trimethylthiohexanoyl)morpholine, Morpholine,5,5-trimethyl-1-thioxohexyl)-
| Molecular Formula | C13H25NOS |
|---|---|
| Molecular Weight | 243.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.16568 |
| Heavy Atoms | 16 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 74037-78-8 |
|---|---|
| SMILES | CC(CC(=S)N1CCOCC1)CC(C)(C)C |
| InChIKey | PHTIKHPLGOWBCS-UHFFFAOYSA-N |
Product Overview
3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione (CAS 74037-78-8), with molecular formula C13H25NOS and molecular weight 243.17 g/mol. IUPAC: 3,5,5-trimethyl-1-morpholin-4-ylhexane-1-thione.
Chemical Property Profile of 3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione
Property Insights of 3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione. With a topological polar surface area (TPSA) of 44.6 Ų, 3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione has 0 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 3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione?
The CAS number of 3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione is 74037-78-8.
What is the molecular formula of 3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione?
The molecular formula of 3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione is C13H25NOS.
What is the molecular weight of 3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione?
The molecular weight of 3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione is 243.17 g/mol.
Where can I buy 3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione?
You can request a quote for 3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione?
Yes, KEHONG BIO provides custom synthesis services for 3,5,5-Trimethyl-1-(4-morpholinyl)-1-hexanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.