Morpholin-4-yl(4-nitrophenyl)methane-1-thione
TL;DR: Morpholin-4-yl(4-nitrophenyl)methane-1-thione (CAS 50903-04-3) 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-(4-nitrophenyl)methanethione
Also Known As: QEOQJPMQKAEYRZ-UHFFFAOYSA-, 4-(4-Nitrothiobenzoyl)morpholine, 4-(p-nitrothiobenzoyl)-morpholine, N-<4-Nitro-thiobenzoyl>-morpholin, N-(4-Nitro-thiobenzoyl)-morpholine
| 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 | 292.0 |
Chemical Identifiers
| CAS Number | 50903-04-3 |
|---|---|
| SMILES | C1COCCN1C(=S)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | QEOQJPMQKAEYRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Morpholin-4-yl(4-nitrophenyl)methane-1-thione (CAS 50903-04-3), with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol. IUPAC: morpholin-4-yl-(4-nitrophenyl)methanethione.
Chemical Property Profile of Morpholin-4-yl(4-nitrophenyl)methane-1-thione
Property Insights of Morpholin-4-yl(4-nitrophenyl)methane-1-thione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Morpholin-4-yl(4-nitrophenyl)methane-1-thione. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Morpholin-4-yl(4-nitrophenyl)methane-1-thione. Following Lipinski's Rule of Five, Morpholin-4-yl(4-nitrophenyl)methane-1-thione 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 Morpholin-4-yl(4-nitrophenyl)methane-1-thione?
The CAS number of Morpholin-4-yl(4-nitrophenyl)methane-1-thione is 50903-04-3.
What is the molecular formula of Morpholin-4-yl(4-nitrophenyl)methane-1-thione?
The molecular formula of Morpholin-4-yl(4-nitrophenyl)methane-1-thione is C11H12N2O3S.
What is the molecular weight of Morpholin-4-yl(4-nitrophenyl)methane-1-thione?
The molecular weight of Morpholin-4-yl(4-nitrophenyl)methane-1-thione is 252.06 g/mol.
Where can I buy Morpholin-4-yl(4-nitrophenyl)methane-1-thione?
You can request a quote for Morpholin-4-yl(4-nitrophenyl)methane-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Morpholin-4-yl(4-nitrophenyl)methane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for Morpholin-4-yl(4-nitrophenyl)methane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.