N-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)thiourea
TL;DR: N-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)thiourea (CAS 364615-61-2) is a chemical compound with molecular formula C16H14ClN3O3S and molecular weight 363.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chloro-5-nitrophenyl)carbamothioyl]-3,4-dimethylbenzamide
Also Known As: BAS 02818333, N-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)thiourea, N-[(2-chloro-5-nitrophenyl)carbamothioyl]-3,4-dimethylbenzamide, 1-(2-Chloro-5-nitro-phenyl)-3-(3,4-dimethyl-benzoyl)-thiourea, (3,4-dimethylphenyl)-N-{[(2-chloro-5-nitrophenyl)amino]thioxomethyl}carboxamid e
| Molecular Formula | C16H14ClN3O3S |
|---|---|
| Molecular Weight | 363.04 g/mol |
| LogP | 3.99184 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.04443 |
| Heavy Atoms | 24 |
| Complexity | 839.3125 |
Chemical Identifiers
| CAS Number | 364615-61-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C |
Product Overview
N-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)thiourea (CAS 364615-61-2), with molecular formula C16H14ClN3O3S and molecular weight 363.04 g/mol. IUPAC: N-[(2-chloro-5-nitrophenyl)carbamothioyl]-3,4-dimethylbenzamide.
Chemical Property Profile of N-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)thiourea
Property Insights of N-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)thiourea
The XLogP value of 3.99184 indicates that N-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)thiourea 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-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)thiourea. Following Lipinski's Rule of Five, N-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)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-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)thiourea?
The CAS number of N-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)thiourea is 364615-61-2.
What is the molecular formula of N-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)thiourea?
The molecular formula of N-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)thiourea is C16H14ClN3O3S.
What is the molecular weight of N-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)thiourea?
The molecular weight of N-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)thiourea is 363.04 g/mol.
Where can I buy N-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)thiourea?
You can request a quote for N-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-{2-chloro-5-nitrophenyl}-N'-(3,4-dimethylbenzoyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.