4-(3-Chlorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile
TL;DR: 4-(3-Chlorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile (CAS 128640-94-8) is a chemical compound with molecular formula C11H6ClN3OS and molecular weight 262.992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
Also Known As: TQR961, 4-(3-chlorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile, J2.363.335C, 6-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile, 4-(3-Chloro-phenyl)-6-hydroxy-2-mercapto-pyrimidine-5-carbonitrile
Technical Specifications
| Molecular Formula | C11H6ClN3OS |
| Molecular Weight | 262.992 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 97.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.992 Da |
| Heavy Atoms | 17 |
| Complexity | 451.0 |
| SMILES | C1=CC(=CC(=C1)Cl)C2=C(C(=O)NC(=S)N2)C#N |
| InChIKey | MZFWQIOXQSGSTC-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Chlorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile
Property Insights of 4-(3-Chlorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Chlorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Chlorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-(3-Chlorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(3-Chlorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile?
The CAS number of 4-(3-Chlorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile is 128640-94-8.
What is the molecular formula of 4-(3-Chlorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile?
The molecular formula of 4-(3-Chlorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile is C11H6ClN3OS.
What is the molecular weight of 4-(3-Chlorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile?
The molecular weight of 4-(3-Chlorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile is 262.992 g/mol.
Where can I buy 4-(3-Chlorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile?
You can request a quote for 4-(3-Chlorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Chlorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(3-Chlorophenyl)-6-hydroxy-2-sulfanylpyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.