6-Hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile
TL;DR: 6-Hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile (CAS 882575-04-4) is a chemical compound with molecular formula C12H9N3OS2 and molecular weight 275.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methylsulfanylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
Also Known As: 4-hydroxy-2-mercapto-6-(4-(methylthio)phenyl)pyrimidine-5-carbonitrile, 4-hydroxy-6-[4-(methylsulfanyl)phenyl]-2-sulfanylpyrimidine-5-carbonitrile, 6-hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile, 6-(4-methylsulfanylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
| Molecular Formula | C12H9N3OS2 |
|---|---|
| Molecular Weight | 275.02 g/mol |
| LogP | 2.69307 |
| Topological Polar Surface Area | 72.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.0187 |
| Heavy Atoms | 18 |
| Complexity | 722.7133 |
Chemical Identifiers
| CAS Number | 882575-04-4 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)C#N |
Product Overview
6-Hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile (CAS 882575-04-4), with molecular formula C12H9N3OS2 and molecular weight 275.02 g/mol. IUPAC: 6-(4-methylsulfanylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile.
Chemical Property Profile of 6-Hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile
Property Insights of 6-Hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile
The XLogP value of 2.69307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile. The TPSA of 72.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 6-Hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile has 2 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 6-Hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile?
The CAS number of 6-Hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile is 882575-04-4.
What is the molecular formula of 6-Hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile?
The molecular formula of 6-Hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile is C12H9N3OS2.
What is the molecular weight of 6-Hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile?
The molecular weight of 6-Hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile is 275.02 g/mol.
Where can I buy 6-Hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile?
You can request a quote for 6-Hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Hydroxy-4-(4-methylthiophenyl)-2-sulfanylpyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.