5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine
TL;DR: 5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine (CAS 98136-20-0) is a chemical compound with molecular formula C5H3BrCl2N2S and molecular weight 271.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-4,6-dichloro-2-methylsulfanylpyrimidine
Also Known As: 5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine, NCIOpen2_006014, 5-bromo-4,6-dichloro-2-(methylsulfanyl)pyrimidine, 5-bromo-4,6-dichloro-2-methylsulfanylpyrimidine, J2.700.592F
| Molecular Formula | C5H3BrCl2N2S |
|---|---|
| Molecular Weight | 271.86 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.85773 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 98136-20-0 |
|---|---|
| SMILES | CSC1=NC(=C(C(=N1)Cl)Br)Cl |
| InChIKey | ZMSKUUQIJKAYLT-UHFFFAOYSA-N |
Product Overview
5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine (CAS 98136-20-0), with molecular formula C5H3BrCl2N2S and molecular weight 271.86 g/mol. IUPAC: 5-bromo-4,6-dichloro-2-methylsulfanylpyrimidine.
Chemical Property Profile of 5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine
Property Insights of 5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine
The XLogP value of 3.7 indicates that 5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine has 0 hydrogen bond donor(s) and 3 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 5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine?
The CAS number of 5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine is 98136-20-0.
What is the molecular formula of 5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine?
The molecular formula of 5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine is C5H3BrCl2N2S.
What is the molecular weight of 5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine?
The molecular weight of 5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine is 271.86 g/mol.
Where can I buy 5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine?
You can request a quote for 5-Bromo-4,6-dichloro-2-(methylthio)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-4,6-dichloro-2-(methylthio)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.