3-Methyl-2-(methylthio)-4(3H)-pyrimidinone
TL;DR: 3-Methyl-2-(methylthio)-4(3H)-pyrimidinone (CAS 6327-98-6) 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.
3-methyl-2-methylsulfanylpyrimidin-4-one
Also Known As: 3-Methyl-2-(methylthio)pyrimidin-4(3H)-one, 3H-4-Pyrimidinone, 3-methyl-2-methylthio-, 3-methyl-2-methylsulfanylpyrimidin-4-one, 3-methyl-2-methylsulfanyl-pyrimidin-4-one, 2-(Methylthio)-3-methylpyrimidine-4(3H)-one
| Molecular Formula | C6H8N2OS |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.03574 |
| Heavy Atoms | 10 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 6327-98-6 |
|---|---|
| SMILES | CN1C(=O)C=CN=C1SC |
| InChIKey | BECYBYGJEOBJGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-2-(methylthio)-4(3H)-pyrimidinone (CAS 6327-98-6), with molecular formula C6H8N2OS and molecular weight 156.04 g/mol. IUPAC: 3-methyl-2-methylsulfanylpyrimidin-4-one.
Chemical Property Profile of 3-Methyl-2-(methylthio)-4(3H)-pyrimidinone
Property Insights of 3-Methyl-2-(methylthio)-4(3H)-pyrimidinone
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-(methylthio)-4(3H)-pyrimidinone. With a topological polar surface area (TPSA) of 58.0 Ų, 3-Methyl-2-(methylthio)-4(3H)-pyrimidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-(methylthio)-4(3H)-pyrimidinone 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 3-Methyl-2-(methylthio)-4(3H)-pyrimidinone?
The CAS number of 3-Methyl-2-(methylthio)-4(3H)-pyrimidinone is 6327-98-6.
What is the molecular formula of 3-Methyl-2-(methylthio)-4(3H)-pyrimidinone?
The molecular formula of 3-Methyl-2-(methylthio)-4(3H)-pyrimidinone is C6H8N2OS.
What is the molecular weight of 3-Methyl-2-(methylthio)-4(3H)-pyrimidinone?
The molecular weight of 3-Methyl-2-(methylthio)-4(3H)-pyrimidinone is 156.04 g/mol.
Where can I buy 3-Methyl-2-(methylthio)-4(3H)-pyrimidinone?
You can request a quote for 3-Methyl-2-(methylthio)-4(3H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-(methylthio)-4(3H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-(methylthio)-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.