(2,6-Dimethylmorpholin-4-yl)(4-nitrophenyl)methanethione
TL;DR: (2,6-Dimethylmorpholin-4-yl)(4-nitrophenyl)methanethione (CAS 58329-94-5) 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.
(2,6-dimethylmorpholin-4-yl)-(4-nitrophenyl)methanethione
Also Known As: (2,6-dimethylmorpholin-4-yl)(4-nitrophenyl)methanethione, (2,6-dimethylmorpholin-4-yl)-(4-nitrophenyl)methanethione, 2,6-DIMETHYL-4-(4-NITROBENZENECARBOTHIOYL)MORPHOLINE
| 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 | 58329-94-5 |
|---|---|
| SMILES | CC1CN(CC(O1)C)C(=S)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
(2,6-Dimethylmorpholin-4-yl)(4-nitrophenyl)methanethione (CAS 58329-94-5), with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol. IUPAC: (2,6-dimethylmorpholin-4-yl)-(4-nitrophenyl)methanethione.
Chemical Property Profile of (2,6-Dimethylmorpholin-4-yl)(4-nitrophenyl)methanethione
Property Insights of (2,6-Dimethylmorpholin-4-yl)(4-nitrophenyl)methanethione
The XLogP value of 2.3795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,6-Dimethylmorpholin-4-yl)(4-nitrophenyl)methanethione. With a topological polar surface area (TPSA) of 55.61 Ų, (2,6-Dimethylmorpholin-4-yl)(4-nitrophenyl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (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 (2,6-Dimethylmorpholin-4-yl)(4-nitrophenyl)methanethione?
The CAS number of (2,6-Dimethylmorpholin-4-yl)(4-nitrophenyl)methanethione is 58329-94-5.
What is the molecular formula of (2,6-Dimethylmorpholin-4-yl)(4-nitrophenyl)methanethione?
The molecular formula of (2,6-Dimethylmorpholin-4-yl)(4-nitrophenyl)methanethione is C13H16N2O3S.
What is the molecular weight of (2,6-Dimethylmorpholin-4-yl)(4-nitrophenyl)methanethione?
The molecular weight of (2,6-Dimethylmorpholin-4-yl)(4-nitrophenyl)methanethione is 280.09 g/mol.
Where can I buy (2,6-Dimethylmorpholin-4-yl)(4-nitrophenyl)methanethione?
You can request a quote for (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 (2,6-Dimethylmorpholin-4-yl)(4-nitrophenyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (2,6-Dimethylmorpholin-4-yl)(4-nitrophenyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.