1-(4-Chloro-2-nitrophenyl)-3-(4-methylbenzoyl)thiourea
TL;DR: 1-(4-Chloro-2-nitrophenyl)-3-(4-methylbenzoyl)thiourea (CAS 875198-00-8) is a chemical compound with molecular formula C15H12ClN3O3S and molecular weight 349.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chloro-2-nitrophenyl)carbamothioyl]-4-methylbenzamide
Also Known As: 1-(4-CHLORO-2-NITROPHENYL)-3-(4-METHYLBENZOYL)THIOUREA, 3-(4-chloro-2-nitrophenyl)-1-(4-methylbenzoyl)thiourea, N-[(4-chloro-2-nitrophenyl)carbamothioyl]-4-methylbenzamide, N-((4-Chloro-2-nitrophenyl)carbamothioyl)-4-methylbenzamide, N-[(4-chloro-2-nitro-phenyl)carbamothioyl]-4-methyl-benzamide
| Molecular Formula | C15H12ClN3O3S |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | 3.68342 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.02878 |
| Heavy Atoms | 23 |
| Complexity | 778.0366 |
Chemical Identifiers
| CAS Number | 875198-00-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
1-(4-Chloro-2-nitrophenyl)-3-(4-methylbenzoyl)thiourea (CAS 875198-00-8), with molecular formula C15H12ClN3O3S and molecular weight 349.03 g/mol. IUPAC: N-[(4-chloro-2-nitrophenyl)carbamothioyl]-4-methylbenzamide.
Chemical Property Profile of 1-(4-Chloro-2-nitrophenyl)-3-(4-methylbenzoyl)thiourea
Property Insights of 1-(4-Chloro-2-nitrophenyl)-3-(4-methylbenzoyl)thiourea
The XLogP value of 3.68342 indicates that 1-(4-Chloro-2-nitrophenyl)-3-(4-methylbenzoyl)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 1-(4-Chloro-2-nitrophenyl)-3-(4-methylbenzoyl)thiourea. Following Lipinski's Rule of Five, 1-(4-Chloro-2-nitrophenyl)-3-(4-methylbenzoyl)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 1-(4-Chloro-2-nitrophenyl)-3-(4-methylbenzoyl)thiourea?
The CAS number of 1-(4-Chloro-2-nitrophenyl)-3-(4-methylbenzoyl)thiourea is 875198-00-8.
What is the molecular formula of 1-(4-Chloro-2-nitrophenyl)-3-(4-methylbenzoyl)thiourea?
The molecular formula of 1-(4-Chloro-2-nitrophenyl)-3-(4-methylbenzoyl)thiourea is C15H12ClN3O3S.
What is the molecular weight of 1-(4-Chloro-2-nitrophenyl)-3-(4-methylbenzoyl)thiourea?
The molecular weight of 1-(4-Chloro-2-nitrophenyl)-3-(4-methylbenzoyl)thiourea is 349.03 g/mol.
Where can I buy 1-(4-Chloro-2-nitrophenyl)-3-(4-methylbenzoyl)thiourea?
You can request a quote for 1-(4-Chloro-2-nitrophenyl)-3-(4-methylbenzoyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chloro-2-nitrophenyl)-3-(4-methylbenzoyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-2-nitrophenyl)-3-(4-methylbenzoyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.