3-Nitrophenylmorpholino thioketone
TL;DR: 3-Nitrophenylmorpholino thioketone (CAS 50903-05-4) is a chemical compound with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
morpholin-4-yl-(3-nitrophenyl)methanethione
Also Known As: 3-Nitrophenylmorpholino thioketone, 3-Nitrophenylmorpholinomethanethione, 4-(3-Nitrobenzothioyl)morpholine #, N-(3-Nitro-thiobenzoyl)-morpholine, morpholino(3-nitrophenyl)methanethione
| Molecular Formula | C11H12N2O3S |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.05687 |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 50903-05-4 |
|---|---|
| SMILES | C1COCCN1C(=S)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | XAFOXMYZPFBAJQ-UHFFFAOYSA-N |
Product Overview
3-Nitrophenylmorpholino thioketone (CAS 50903-05-4), with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol. IUPAC: morpholin-4-yl-(3-nitrophenyl)methanethione.
Chemical Property Profile of 3-Nitrophenylmorpholino thioketone
Property Insights of 3-Nitrophenylmorpholino thioketone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrophenylmorpholino thioketone. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrophenylmorpholino thioketone. Following Lipinski's Rule of Five, 3-Nitrophenylmorpholino thioketone 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 3-Nitrophenylmorpholino thioketone?
The CAS number of 3-Nitrophenylmorpholino thioketone is 50903-05-4.
What is the molecular formula of 3-Nitrophenylmorpholino thioketone?
The molecular formula of 3-Nitrophenylmorpholino thioketone is C11H12N2O3S.
What is the molecular weight of 3-Nitrophenylmorpholino thioketone?
The molecular weight of 3-Nitrophenylmorpholino thioketone is 252.06 g/mol.
Where can I buy 3-Nitrophenylmorpholino thioketone?
You can request a quote for 3-Nitrophenylmorpholino thioketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrophenylmorpholino thioketone?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrophenylmorpholino thioketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.