![N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide structure](/static/products/3945/39454-62-1.webp)
N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide
TL;DR: N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide (CAS 39454-62-1) is a chemical compound with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-nitrophenyl)carbamothioyl]benzamide
Also Known As: N-benzoyl-N'-(3-nitrophenyl)thiourea, N-benzoyl-N'-{3-nitrophenyl}thiourea, N-[(3-nitrophenyl)carbamothioyl]benzamide, N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide, 1-Benzoyl-3-(3-nitrophenyl)thiourea
| Molecular Formula | C14H11N3O3S |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.05212 |
| Heavy Atoms | 21 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 39454-62-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | ISNKGMPVWYMBRJ-UHFFFAOYSA-N |
Product Overview
N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide (CAS 39454-62-1), with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol. IUPAC: N-[(3-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide
Property Insights of N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide
The XLogP value of 3.8 indicates that N-[(3-nitroanilino)-sulfanylidenemethyl]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 N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide. Following Lipinski's Rule of Five, N-[(3-nitroanilino)-sulfanylidenemethyl]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 N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide?
The CAS number of N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide is 39454-62-1.
What is the molecular formula of N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide?
The molecular formula of N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide is C14H11N3O3S.
What is the molecular weight of N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide?
The molecular weight of N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide is 301.05 g/mol.
Where can I buy N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide?
You can request a quote for N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.