N-benzoyl-N'-(4-nitrophenyl)thiourea
TL;DR: N-benzoyl-N'-(4-nitrophenyl)thiourea (CAS 40611-33-4) 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-[(4-nitrophenyl)carbamothioyl]benzamide
Also Known As: N-benzoyl-N'-(4-nitrophenyl)thiourea, 1-Benzoyl-3-(4-nitrophenyl)thiourea, N-[(4-nitrophenyl)carbamothioyl]benzamide, N-benzoyl-N'-{4-nitrophenyl}thiourea, N-((4-nitrophenyl)carbamothioyl)benzamide
| Molecular Formula | C14H11N3O3S |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 2.7216 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.05212 |
| Heavy Atoms | 21 |
| Complexity | 671.6234 |
Chemical Identifiers
| CAS Number | 40611-33-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-benzoyl-N'-(4-nitrophenyl)thiourea (CAS 40611-33-4), with molecular formula C14H11N3O3S and molecular weight 301.05 g/mol. IUPAC: N-[(4-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of N-benzoyl-N'-(4-nitrophenyl)thiourea
Property Insights of N-benzoyl-N'-(4-nitrophenyl)thiourea
The XLogP value of 2.7216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzoyl-N'-(4-nitrophenyl)thiourea. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzoyl-N'-(4-nitrophenyl)thiourea. Following Lipinski's Rule of Five, N-benzoyl-N'-(4-nitrophenyl)thiourea 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-benzoyl-N'-(4-nitrophenyl)thiourea?
The CAS number of N-benzoyl-N'-(4-nitrophenyl)thiourea is 40611-33-4.
What is the molecular formula of N-benzoyl-N'-(4-nitrophenyl)thiourea?
The molecular formula of N-benzoyl-N'-(4-nitrophenyl)thiourea is C14H11N3O3S.
What is the molecular weight of N-benzoyl-N'-(4-nitrophenyl)thiourea?
The molecular weight of N-benzoyl-N'-(4-nitrophenyl)thiourea is 301.05 g/mol.
Where can I buy N-benzoyl-N'-(4-nitrophenyl)thiourea?
You can request a quote for N-benzoyl-N'-(4-nitrophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzoyl-N'-(4-nitrophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-benzoyl-N'-(4-nitrophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.