6-chloro-3-methyl-2-(methylthio)pyrimidin-4(3H)-one
TL;DR: 6-chloro-3-methyl-2-(methylthio)pyrimidin-4(3H)-one (CAS 89466-43-3) is a chemical compound with molecular formula C6H7ClN2OS and molecular weight 190.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-methyl-2-methylsulfanylpyrimidin-4-one
Also Known As: 6-chloro-3-methyl-2-(methylthio)pyrimidin-4(3H)-one, 6-chloro-3-methyl-2-methylsulfanylpyrimidin-4-one, 6-Chloro-3-methyl-2-methylsulfanyl-3H-pyrimidin-4-one, BB 0261464, 4(3H)-Pyrimidinone,6-chloro-3-methyl-2-(methylthio)-
| Molecular Formula | C6H7ClN2OS |
|---|---|
| Molecular Weight | 190.00 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.99677 |
| Heavy Atoms | 11 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 89466-43-3 |
|---|---|
| SMILES | CN1C(=O)C=C(N=C1SC)Cl |
| InChIKey | XRWGAJTXSJEBGR-UHFFFAOYSA-N |
Product Overview
6-chloro-3-methyl-2-(methylthio)pyrimidin-4(3H)-one (CAS 89466-43-3), with molecular formula C6H7ClN2OS and molecular weight 190.00 g/mol. IUPAC: 6-chloro-3-methyl-2-methylsulfanylpyrimidin-4-one.
Chemical Property Profile of 6-chloro-3-methyl-2-(methylthio)pyrimidin-4(3H)-one
Property Insights of 6-chloro-3-methyl-2-(methylthio)pyrimidin-4(3H)-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-3-methyl-2-(methylthio)pyrimidin-4(3H)-one. With a topological polar surface area (TPSA) of 58.0 Ų, 6-chloro-3-methyl-2-(methylthio)pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-3-methyl-2-(methylthio)pyrimidin-4(3H)-one 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 6-chloro-3-methyl-2-(methylthio)pyrimidin-4(3H)-one?
The CAS number of 6-chloro-3-methyl-2-(methylthio)pyrimidin-4(3H)-one is 89466-43-3.
What is the molecular formula of 6-chloro-3-methyl-2-(methylthio)pyrimidin-4(3H)-one?
The molecular formula of 6-chloro-3-methyl-2-(methylthio)pyrimidin-4(3H)-one is C6H7ClN2OS.
What is the molecular weight of 6-chloro-3-methyl-2-(methylthio)pyrimidin-4(3H)-one?
The molecular weight of 6-chloro-3-methyl-2-(methylthio)pyrimidin-4(3H)-one is 190.00 g/mol.
Where can I buy 6-chloro-3-methyl-2-(methylthio)pyrimidin-4(3H)-one?
You can request a quote for 6-chloro-3-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 6-chloro-3-methyl-2-(methylthio)pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-3-methyl-2-(methylthio)pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.