![4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide structure](/static/products/5392/53929-79-6.webp)
4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide
TL;DR: 4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide (CAS 53929-79-6) 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.
4-chloro-N-[(3-nitrophenyl)carbamothioyl]benzamide
Also Known As: 4-chloro-n-[(3-nitrophenyl)carbamothioyl]benzamide, 4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide, (4-chlorophenyl)-N-{[(3-nitrophenyl)amino]thioxomethyl}carboxamide, 4-Chloro-N-{[(3-nitrophenyl)imino](sulfanyl)methyl}benzene-1-carboximidic acid
| Molecular Formula | C14H10ClN3O3S |
|---|---|
| Molecular Weight | 335.01 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.01315 |
| Heavy Atoms | 22 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 53929-79-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | JBJRNOQXYWLBNF-UHFFFAOYSA-N |
Product Overview
4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide (CAS 53929-79-6), with molecular formula C14H10ClN3O3S and molecular weight 335.01 g/mol. IUPAC: 4-chloro-N-[(3-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide
Property Insights of 4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide
The XLogP value of 4.0 indicates that 4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}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-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide. Following Lipinski's Rule of Five, 4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}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-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide?
The CAS number of 4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide is 53929-79-6.
What is the molecular formula of 4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide?
The molecular formula of 4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide is C14H10ClN3O3S.
What is the molecular weight of 4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide?
The molecular weight of 4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide is 335.01 g/mol.
Where can I buy 4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide?
You can request a quote for 4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-{[(3-nitrophenyl)amino]carbonothioyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.