![N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide structure](/static/products/3337/333741-80-3.webp)
N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide
TL;DR: N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide (CAS 333741-80-3) is a chemical compound with molecular formula C14H10ClN3O3S and molecular weight 335.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide
Also Known As: N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide, BAS 02851846, 1-benzoyl-3-(4-chloro-3-nitrophenyl)thiourea, N-benzoyl-N'-{4-chloro-3-nitrophenyl}thiourea, 1-Benzoyl-3-(4-chloro-3-nitro-phenyl)-thiourea
| Molecular Formula | C14H10ClN3O3S |
|---|---|
| Molecular Weight | 335.01 g/mol |
| LogP | 3.375 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.01315 |
| Heavy Atoms | 22 |
| Complexity | 737.36786 |
Chemical Identifiers
| CAS Number | 333741-80-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide (CAS 333741-80-3), with molecular formula C14H10ClN3O3S and molecular weight 335.01 g/mol. IUPAC: N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide
Property Insights of N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 3.375 indicates that N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, N-[(4-chloro-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 N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide?
The CAS number of N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide is 333741-80-3.
What is the molecular formula of N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide is C14H10ClN3O3S.
What is the molecular weight of N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide is 335.01 g/mol.
Where can I buy N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for N-[(4-chloro-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 N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chloro-3-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.