2-(Methylthio)-1H-pyrimidin-4-one
TL;DR: 2-(Methylthio)-1H-pyrimidin-4-one (CAS 5751-20-2) is a chemical compound with molecular formula C5H6N2OS and molecular weight 142.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-1H-pyrimidin-6-one
Also Known As: 2-(methylthio)pyrimidin-4-ol, 2-Methylthiopyrimidin-4-ol, 2-Methylthio-4-pyrimidinol, 2-Methylthiouracil, 2-Methylthio-4-pyrimidone
| Molecular Formula | C5H6N2OS |
|---|---|
| Molecular Weight | 142.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.02008 |
| Heavy Atoms | 9 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 5751-20-2 |
|---|---|
| SMILES | CSC1=NC=CC(=O)N1 |
| InChIKey | UYHSQVMHSFXUOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methylthio)-1H-pyrimidin-4-one (CAS 5751-20-2), with molecular formula C5H6N2OS and molecular weight 142.02 g/mol. IUPAC: 2-methylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(Methylthio)-1H-pyrimidin-4-one
Property Insights of 2-(Methylthio)-1H-pyrimidin-4-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)-1H-pyrimidin-4-one. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylthio)-1H-pyrimidin-4-one. Following Lipinski's Rule of Five, 2-(Methylthio)-1H-pyrimidin-4-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 2-(Methylthio)-1H-pyrimidin-4-one?
The CAS number of 2-(Methylthio)-1H-pyrimidin-4-one is 5751-20-2.
What is the molecular formula of 2-(Methylthio)-1H-pyrimidin-4-one?
The molecular formula of 2-(Methylthio)-1H-pyrimidin-4-one is C5H6N2OS.
What is the molecular weight of 2-(Methylthio)-1H-pyrimidin-4-one?
The molecular weight of 2-(Methylthio)-1H-pyrimidin-4-one is 142.02 g/mol.
Where can I buy 2-(Methylthio)-1H-pyrimidin-4-one?
You can request a quote for 2-(Methylthio)-1H-pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.