5-Methyl-2-(methylthio)pyrimidin-4(3H)-one
TL;DR: 5-Methyl-2-(methylthio)pyrimidin-4(3H)-one (CAS 23584-01-2) is a chemical compound with molecular formula C6H8N2OS and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
Also Known As: 5-Methyl-2-(methylthio)pyrimidin-4(3H)-one, 5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one, 5-methyl-2-(methylthio)pyrimidin-4-ol, 2-methylthio-5-methyl-4-pyrimidone, 0586AB
| Molecular Formula | C6H8N2OS |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.03574 |
| Heavy Atoms | 10 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 23584-01-2 |
|---|---|
| SMILES | CC1=CN=C(NC1=O)SC |
| InChIKey | TVPRITKRWWSQFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-2-(methylthio)pyrimidin-4(3H)-one (CAS 23584-01-2), with molecular formula C6H8N2OS and molecular weight 156.04 g/mol. IUPAC: 5-methyl-2-methylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 5-Methyl-2-(methylthio)pyrimidin-4(3H)-one
Property Insights of 5-Methyl-2-(methylthio)pyrimidin-4(3H)-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-(methylthio)pyrimidin-4(3H)-one. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-2-(methylthio)pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 5-Methyl-2-(methylthio)pyrimidin-4(3H)-one has 1 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-Methyl-2-(methylthio)pyrimidin-4(3H)-one?
The CAS number of 5-Methyl-2-(methylthio)pyrimidin-4(3H)-one is 23584-01-2.
What is the molecular formula of 5-Methyl-2-(methylthio)pyrimidin-4(3H)-one?
The molecular formula of 5-Methyl-2-(methylthio)pyrimidin-4(3H)-one is C6H8N2OS.
What is the molecular weight of 5-Methyl-2-(methylthio)pyrimidin-4(3H)-one?
The molecular weight of 5-Methyl-2-(methylthio)pyrimidin-4(3H)-one is 156.04 g/mol.
Where can I buy 5-Methyl-2-(methylthio)pyrimidin-4(3H)-one?
You can request a quote for 5-Methyl-2-(methylthio)pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-(methylthio)pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(methylthio)pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.