4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine
TL;DR: 4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine (CAS 6312-51-2) is a chemical compound with molecular formula C16H21NOS and molecular weight 275.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-morpholin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanethione
Also Known As: NIOSH/QE9521500, 4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine, 1-morpholin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanethione, AP-518/42710800, Ethanethione,1-(4-morpholinyl)-2-(5,6,7,8-tetrahydro-2-naphthalenyl)-
| Molecular Formula | C16H21NOS |
|---|---|
| Molecular Weight | 275.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.1344 |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 6312-51-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C=CC(=C2)CC(=S)N3CCOCC3 |
| InChIKey | RRHRCKOVXFVNDU-UHFFFAOYSA-N |
Product Overview
4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine (CAS 6312-51-2), with molecular formula C16H21NOS and molecular weight 275.13 g/mol. IUPAC: 1-morpholin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanethione.
Chemical Property Profile of 4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine
Property Insights of 4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine. With a topological polar surface area (TPSA) of 44.6 Ų, 4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine 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 4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine?
The CAS number of 4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine is 6312-51-2.
What is the molecular formula of 4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine?
The molecular formula of 4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine is C16H21NOS.
What is the molecular weight of 4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine?
The molecular weight of 4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine is 275.13 g/mol.
Where can I buy 4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine?
You can request a quote for 4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-((5,6,7,8-Tetrahydro-2-naphthyl)thioacetyl)morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.