![[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione structure](/static/products/6456/64568-29-2.webp)
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione
TL;DR: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione (CAS 64568-29-2) is a chemical compound with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione
Also Known As: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione|[(2S,6S)-2,6-Dimethylmorpholin-4-yl](4-nitrophenyl)methanethione|Morpholine, 2,6-dimethyl-4-[(4-nitrophenyl)thioxomethyl]-, trans-|Morpholine,2,6-dimethyl-4-[(4-nitrophenyl)thioxomethyl]-,trans|RefChem:388662|DTXCID40310655
| Molecular Formula | C13H16N2O3S |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 2.3795 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.08817 |
| Heavy Atoms | 19 |
| Complexity | 479.16663 |
Chemical Identifiers
| CAS Number | 64568-29-2 |
|---|---|
| SMILES | C[C@H]1CN(C[C@@H](O1)C)C(=S)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione (CAS 64568-29-2), with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol. IUPAC: [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione.
Chemical Property Profile of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione
Property Insights of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione
The XLogP value of 2.3795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione. With a topological polar surface area (TPSA) of 55.61 Ų, [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione has 0 hydrogen bond donor(s) and 4 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 [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione?
The CAS number of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione is 64568-29-2.
What is the molecular formula of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione?
The molecular formula of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione is C13H16N2O3S.
What is the molecular weight of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione?
The molecular weight of [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione is 280.09 g/mol.
Where can I buy [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione?
You can request a quote for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for [(2S,6S)-2,6-dimethylmorpholin-4-yl]-(4-nitrophenyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.