4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile
TL;DR: 4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile (CAS 89487-99-0) is a chemical compound with molecular formula C6H5N3OS and molecular weight 167.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
Also Known As: 4-hydroxy-2-(methylthio)pyrimidine-5-carbonitrile, null, 5-Cyano-4-hydroxy-2-(methylthio)pyrimidine, 5-cyano-2-(methylthio)pyrimidine-4-one, DICLOFOPMETHYL,5-HYDROXY
| Molecular Formula | C6H5N3OS |
|---|---|
| Molecular Weight | 167.02 g/mol |
| LogP | 0.36348 |
| Topological Polar Surface Area | 69.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.01534 |
| Heavy Atoms | 11 |
| Complexity | 351.5804 |
Chemical Identifiers
| CAS Number | 89487-99-0 |
|---|---|
| SMILES | CSC1=NC=C(C(=O)N1)C#N |
Product Overview
4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile (CAS 89487-99-0), with molecular formula C6H5N3OS and molecular weight 167.02 g/mol. IUPAC: 2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile
Property Insights of 4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile
The XLogP value of 0.36348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile. The TPSA of 69.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile has 1 hydrogen bond donor(s) and 4 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-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile?
The CAS number of 4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile is 89487-99-0.
What is the molecular formula of 4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile?
The molecular formula of 4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile is C6H5N3OS.
What is the molecular weight of 4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile?
The molecular weight of 4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile is 167.02 g/mol.
Where can I buy 4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile?
You can request a quote for 4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.