![N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide structure](/static/products/5016/501679-18-1.webp)
N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide
TL;DR: N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide (CAS 501679-18-1) is a chemical compound with molecular formula C14H9Cl2N3O3S and molecular weight 368.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide
Also Known As: N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide, N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitro-benzamide, N-(3,4-dichlorophenyl)-N'-(3-nitrobenzoyl)thiourea, 2-Propenoic acid,2-methyl-,2-hydroxy-3-phenylpropyl ester, Benzamide, N-[[(3,4-dichlorophenyl)amino]thioxomethyl]-3-nitro-
| Molecular Formula | C14H9Cl2N3O3S |
|---|---|
| Molecular Weight | 368.97 g/mol |
| LogP | 4.0284 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.97418 |
| Heavy Atoms | 23 |
| Complexity | 798.587 |
Chemical Identifiers
| CAS Number | 501679-18-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)Cl |
Product Overview
N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide (CAS 501679-18-1), with molecular formula C14H9Cl2N3O3S and molecular weight 368.97 g/mol. IUPAC: N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide.
Chemical Property Profile of N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide
Property Insights of N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide
The XLogP value of 4.0284 indicates that N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide 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-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide 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-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide?
The CAS number of N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide is 501679-18-1.
What is the molecular formula of N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide?
The molecular formula of N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide is C14H9Cl2N3O3S.
What is the molecular weight of N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide?
The molecular weight of N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide is 368.97 g/mol.
Where can I buy N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide?
You can request a quote for N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3,4-dichlorophenyl)carbamothioyl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.