![5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine structure](/static/products/7222/72221-85-3.webp)
5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine
TL;DR: 5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine (CAS 72221-85-3) is a chemical compound with molecular formula C12H9BrCl2N2S2 and molecular weight 393.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-4-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylsulfanylpyrimidine
Also Known As: diethyl naphthalen-1-ylpropanedioate, 5-bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine, 5-Bromo-4-((2,4-dichlorobenzyl)thio)-2-(methylthio)pyrimidine, 5-bromo-4-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylsulfa, 5-bromo-4-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylsulfanylpyrimidine
| Molecular Formula | C12H9BrCl2N2S2 |
|---|---|
| Molecular Weight | 393.88 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.87677 |
| Heavy Atoms | 19 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 72221-85-3 |
|---|---|
| SMILES | CSC1=NC=C(C(=N1)SCC2=C(C=C(C=C2)Cl)Cl)Br |
| InChIKey | STHQEMKCASFNLB-UHFFFAOYSA-N |
Product Overview
5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine (CAS 72221-85-3), with molecular formula C12H9BrCl2N2S2 and molecular weight 393.88 g/mol. IUPAC: 5-bromo-4-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylsulfanylpyrimidine.
Chemical Property Profile of 5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine
Property Insights of 5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine
The XLogP value of 5.3 indicates that 5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine. Following Lipinski's Rule of Five, 5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine?
The CAS number of 5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine is 72221-85-3.
What is the molecular formula of 5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine?
The molecular formula of 5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine is C12H9BrCl2N2S2.
What is the molecular weight of 5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine?
The molecular weight of 5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine is 393.88 g/mol.
Where can I buy 5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine?
You can request a quote for 5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-4-[(2,4-dichlorobenzyl)sulfanyl]-2-(methylsulfanyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.