N-(morpholine-4-carbothioyl)-3-nitrobenzamide
TL;DR: N-(morpholine-4-carbothioyl)-3-nitrobenzamide (CAS 58415-36-4) is a chemical compound with molecular formula C12H13N3O4S and molecular weight 295.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(morpholine-4-carbothioyl)-3-nitrobenzamide
Also Known As: N-(morpholine-4-carbothioyl)-3-nitrobenzamide, N-morpholino(thiocarbonyl)m-nitrobenzamide, 4-(N-(3-nitrobenzoyl)(thiocarbamoyl))morpholine, N-(Morpholin-4-yl-carbothioyl)-3-nitro-benzamide, J1.824.974J
| Molecular Formula | C12H13N3O4S |
|---|---|
| Molecular Weight | 295.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.06268 |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 58415-36-4 |
|---|---|
| SMILES | C1COCCN1C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | SZWNPSSWUKYVDE-UHFFFAOYSA-N |
Product Overview
N-(morpholine-4-carbothioyl)-3-nitrobenzamide (CAS 58415-36-4), with molecular formula C12H13N3O4S and molecular weight 295.06 g/mol. IUPAC: N-(morpholine-4-carbothioyl)-3-nitrobenzamide.
Chemical Property Profile of N-(morpholine-4-carbothioyl)-3-nitrobenzamide
Property Insights of N-(morpholine-4-carbothioyl)-3-nitrobenzamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(morpholine-4-carbothioyl)-3-nitrobenzamide. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(morpholine-4-carbothioyl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(morpholine-4-carbothioyl)-3-nitrobenzamide has 1 hydrogen bond donor(s) and 5 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 N-(morpholine-4-carbothioyl)-3-nitrobenzamide?
The CAS number of N-(morpholine-4-carbothioyl)-3-nitrobenzamide is 58415-36-4.
What is the molecular formula of N-(morpholine-4-carbothioyl)-3-nitrobenzamide?
The molecular formula of N-(morpholine-4-carbothioyl)-3-nitrobenzamide is C12H13N3O4S.
What is the molecular weight of N-(morpholine-4-carbothioyl)-3-nitrobenzamide?
The molecular weight of N-(morpholine-4-carbothioyl)-3-nitrobenzamide is 295.06 g/mol.
Where can I buy N-(morpholine-4-carbothioyl)-3-nitrobenzamide?
You can request a quote for N-(morpholine-4-carbothioyl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(morpholine-4-carbothioyl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(morpholine-4-carbothioyl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.