N-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea
TL;DR: N-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea (CAS 309944-04-5) is a chemical compound with molecular formula C12H9BrClN3S and molecular weight 340.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)thiourea
Also Known As: 1-(5-bromopyridin-2-yl)-3-(4-chlorophenyl)thiourea, N-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea, AI-204/31686045
| Molecular Formula | C12H9BrClN3S |
|---|---|
| Molecular Weight | 340.94 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.9389 |
| Heavy Atoms | 18 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 309944-04-5 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)NC2=NC=C(C=C2)Br)Cl |
| InChIKey | JWVJGALQJZHBGF-UHFFFAOYSA-N |
Product Overview
N-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea (CAS 309944-04-5), with molecular formula C12H9BrClN3S and molecular weight 340.94 g/mol. IUPAC: 1-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)thiourea.
Chemical Property Profile of N-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea
Property Insights of N-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea
The XLogP value of 3.7 indicates that N-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea. Following Lipinski's Rule of Five, N-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea has 2 hydrogen bond donor(s) and 2 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-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea?
The CAS number of N-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea is 309944-04-5.
What is the molecular formula of N-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea?
The molecular formula of N-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea is C12H9BrClN3S.
What is the molecular weight of N-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea?
The molecular weight of N-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea is 340.94 g/mol.
Where can I buy N-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea?
You can request a quote for N-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(5-bromo-2-pyridinyl)-N'-(4-chlorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.