4-Chloro-6-methyl-2-(methylthio)pyrimidine
TL;DR: 4-Chloro-6-methyl-2-(methylthio)pyrimidine (CAS 875781-15-0) is a chemical compound with molecular formula C6H7ClN2S and molecular weight 174.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-6-methyl-2-methylsulfanylpyrimidine
Also Known As: 4-Chloro-6-methyl-2-(methylthio)pyrimidine, methotrexate, 4-chloro-6-methyl-2-(methylsulfanyl)pyrimidine, 4-chloro-6-methyl-2-methylsulfanylpyrimidine, 4-Chloro-6-methyl-2-methylsulfanyl-pyrimidine
| Molecular Formula | C6H7ClN2S |
|---|---|
| Molecular Weight | 174.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.00185 |
| Heavy Atoms | 10 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 875781-15-0 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC)Cl |
| InChIKey | ALMBOXQFPLQVLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-6-methyl-2-(methylthio)pyrimidine (CAS 875781-15-0), with molecular formula C6H7ClN2S and molecular weight 174.00 g/mol. IUPAC: 4-chloro-6-methyl-2-methylsulfanylpyrimidine.
Chemical Property Profile of 4-Chloro-6-methyl-2-(methylthio)pyrimidine
Property Insights of 4-Chloro-6-methyl-2-(methylthio)pyrimidine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-6-methyl-2-(methylthio)pyrimidine. With a topological polar surface area (TPSA) of 51.1 Ų, 4-Chloro-6-methyl-2-(methylthio)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-6-methyl-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 4-Chloro-6-methyl-2-(methylthio)pyrimidine?
The CAS number of 4-Chloro-6-methyl-2-(methylthio)pyrimidine is 875781-15-0.
What is the molecular formula of 4-Chloro-6-methyl-2-(methylthio)pyrimidine?
The molecular formula of 4-Chloro-6-methyl-2-(methylthio)pyrimidine is C6H7ClN2S.
What is the molecular weight of 4-Chloro-6-methyl-2-(methylthio)pyrimidine?
The molecular weight of 4-Chloro-6-methyl-2-(methylthio)pyrimidine is 174.00 g/mol.
Where can I buy 4-Chloro-6-methyl-2-(methylthio)pyrimidine?
You can request a quote for 4-Chloro-6-methyl-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 4-Chloro-6-methyl-2-(methylthio)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-6-methyl-2-(methylthio)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.