3-(methylthio)-N-(3-nitrophenyl)benzamide
TL;DR: 3-(methylthio)-N-(3-nitrophenyl)benzamide (CAS 896342-13-5) is a chemical compound with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-N-(3-nitrophenyl)benzamide
Also Known As: 3-(methylsulfanyl)-N-(3-nitrophenyl)benzamide, 3-(methylthio)-N-(3-nitrophenyl)benzamide, 3-methylsulfanyl-N-(3-nitrophenyl)benzamide, F2554-0201
| Molecular Formula | C14H12N2O3S |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 3.569 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.05685 |
| Heavy Atoms | 20 |
| Complexity | 658.3722 |
Chemical Identifiers
| CAS Number | 896342-13-5 |
|---|---|
| SMILES | CSC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
3-(methylthio)-N-(3-nitrophenyl)benzamide (CAS 896342-13-5), with molecular formula C14H12N2O3S and molecular weight 288.06 g/mol. IUPAC: 3-methylsulfanyl-N-(3-nitrophenyl)benzamide.
Chemical Property Profile of 3-(methylthio)-N-(3-nitrophenyl)benzamide
Property Insights of 3-(methylthio)-N-(3-nitrophenyl)benzamide
The XLogP value of 3.569 indicates that 3-(methylthio)-N-(3-nitrophenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(methylthio)-N-(3-nitrophenyl)benzamide. Following Lipinski's Rule of Five, 3-(methylthio)-N-(3-nitrophenyl)benzamide has 1 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-(methylthio)-N-(3-nitrophenyl)benzamide?
The CAS number of 3-(methylthio)-N-(3-nitrophenyl)benzamide is 896342-13-5.
What is the molecular formula of 3-(methylthio)-N-(3-nitrophenyl)benzamide?
The molecular formula of 3-(methylthio)-N-(3-nitrophenyl)benzamide is C14H12N2O3S.
What is the molecular weight of 3-(methylthio)-N-(3-nitrophenyl)benzamide?
The molecular weight of 3-(methylthio)-N-(3-nitrophenyl)benzamide is 288.06 g/mol.
Where can I buy 3-(methylthio)-N-(3-nitrophenyl)benzamide?
You can request a quote for 3-(methylthio)-N-(3-nitrophenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(methylthio)-N-(3-nitrophenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(methylthio)-N-(3-nitrophenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.