![4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide structure](/static/products/5394/53941-38-1.webp)
4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide
TL;DR: 4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide (CAS 53941-38-1) is a chemical compound with molecular formula C15H13N3O3S and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide
Also Known As: 4-methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide, 4-methyl-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide, 4-methyl-N-[(3-nitrophenyl)thiocarbamoyl]benzamide, (4-methylphenyl)-N-{[(3-nitrophenyl)amino]thioxomethyl}carboxamide, 4-Methyl-N-{[(3-nitrophenyl)imino](sulfanyl)methyl}benzene-1-carboximidic acid
| Molecular Formula | C15H13N3O3S |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.06775 |
| Heavy Atoms | 22 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 53941-38-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | OLNLATQIBSJSQA-UHFFFAOYSA-N |
Product Overview
4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide (CAS 53941-38-1), with molecular formula C15H13N3O3S and molecular weight 315.07 g/mol. IUPAC: 4-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide
Property Insights of 4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 3.7 indicates that 4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide has 2 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 4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide?
The CAS number of 4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide is 53941-38-1.
What is the molecular formula of 4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of 4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide is C15H13N3O3S.
What is the molecular weight of 4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of 4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide is 315.07 g/mol.
Where can I buy 4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for 4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-n-[(3-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.