4-Chloro-2-methylsulfanyl-6-phenylpyrimidine
TL;DR: 4-Chloro-2-methylsulfanyl-6-phenylpyrimidine (CAS 91063-60-4) is a chemical compound with molecular formula C11H9ClN2S and molecular weight 236.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methylsulfanyl-6-phenylpyrimidine
Also Known As: 4-chloro-2-methylsulfanyl-6-phenylpyrimidine, 4-chloro-2-(methylthio)-6-phenylpyrimidine, pyrimidine, 4-chloro-2-(methylthio)-6-phenyl-, 4-chloro-2-methylsulfanyl-6-phenyl-pyrimidine, 4-Chlor-2-methylmercapto-6-phenyl-pyrimidin
| Molecular Formula | C11H9ClN2S |
|---|---|
| Molecular Weight | 236.02 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.0175 |
| Heavy Atoms | 15 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 91063-60-4 |
|---|---|
| SMILES | CSC1=NC(=CC(=N1)Cl)C2=CC=CC=C2 |
| InChIKey | ZEESGEQPRKDJCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-methylsulfanyl-6-phenylpyrimidine (CAS 91063-60-4), with molecular formula C11H9ClN2S and molecular weight 236.02 g/mol. IUPAC: 4-chloro-2-methylsulfanyl-6-phenylpyrimidine.
Chemical Property Profile of 4-Chloro-2-methylsulfanyl-6-phenylpyrimidine
Property Insights of 4-Chloro-2-methylsulfanyl-6-phenylpyrimidine
The XLogP value of 3.7 indicates that 4-Chloro-2-methylsulfanyl-6-phenylpyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 4-Chloro-2-methylsulfanyl-6-phenylpyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-methylsulfanyl-6-phenylpyrimidine 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 4-Chloro-2-methylsulfanyl-6-phenylpyrimidine?
The CAS number of 4-Chloro-2-methylsulfanyl-6-phenylpyrimidine is 91063-60-4.
What is the molecular formula of 4-Chloro-2-methylsulfanyl-6-phenylpyrimidine?
The molecular formula of 4-Chloro-2-methylsulfanyl-6-phenylpyrimidine is C11H9ClN2S.
What is the molecular weight of 4-Chloro-2-methylsulfanyl-6-phenylpyrimidine?
The molecular weight of 4-Chloro-2-methylsulfanyl-6-phenylpyrimidine is 236.02 g/mol.
Where can I buy 4-Chloro-2-methylsulfanyl-6-phenylpyrimidine?
You can request a quote for 4-Chloro-2-methylsulfanyl-6-phenylpyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-methylsulfanyl-6-phenylpyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-methylsulfanyl-6-phenylpyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.