4-Chloro-2-methylthiopyrimidine
TL;DR: 4-Chloro-2-methylthiopyrimidine (CAS 49844-90-8) is a chemical compound with molecular formula C5H5ClN2S and molecular weight 159.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methylsulfanylpyrimidine
Also Known As: 4-Chloro-2-methylthiopyrimidine, 4-Chloro-2-(methylthio)pyrimidine, 4-chloro-2-(methylsulfanyl)pyrimidine, Not Available, 4-chloro-2-methylsulfanylpyrimidine
| Molecular Formula | C5H5ClN2S |
|---|---|
| Molecular Weight | 159.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.98619 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 49844-90-8 |
|---|---|
| SMILES | CSC1=NC=CC(=N1)Cl |
| InChIKey | DFOHHQRGDOQMKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-methylthiopyrimidine (CAS 49844-90-8), with molecular formula C5H5ClN2S and molecular weight 159.99 g/mol. IUPAC: 4-chloro-2-methylsulfanylpyrimidine.
Chemical Property Profile of 4-Chloro-2-methylthiopyrimidine
Property Insights of 4-Chloro-2-methylthiopyrimidine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-methylthiopyrimidine. With a topological polar surface area (TPSA) of 51.1 Ų, 4-Chloro-2-methylthiopyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-methylthiopyrimidine 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-methylthiopyrimidine?
The CAS number of 4-Chloro-2-methylthiopyrimidine is 49844-90-8.
What is the molecular formula of 4-Chloro-2-methylthiopyrimidine?
The molecular formula of 4-Chloro-2-methylthiopyrimidine is C5H5ClN2S.
What is the molecular weight of 4-Chloro-2-methylthiopyrimidine?
The molecular weight of 4-Chloro-2-methylthiopyrimidine is 159.99 g/mol.
Where can I buy 4-Chloro-2-methylthiopyrimidine?
You can request a quote for 4-Chloro-2-methylthiopyrimidine 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-methylthiopyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-methylthiopyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.