4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile
TL;DR: 4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile (CAS 118996-61-5) is a chemical compound with molecular formula C12H8ClN3S and molecular weight 261.01276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-6-methylsulfanyl-2-phenylpyrimidine-5-carbonitrile
Also Known As: 4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile, 4-chloro-6-methylsulfanyl-2-phenylpyrimidine-5-carbonitrile, 4-chloro-6-(methylsulfanyl)-2-phenyl-5-pyrimidinecarbonitrile, 5-Pyrimidinecarbonitrile,4-chloro-6-(methylthio)-2-phenyl-, 4-chloro-6-(methylsulfanyl)-2-phenylpyrimidine-5-carbonitrile
Technical Specifications
| Molecular Formula | C12H8ClN3S |
| Molecular Weight | 261.01276 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.01276 Da |
| Heavy Atoms | 17 |
| Complexity | 297.0 |
| SMILES | CSC1=C(C(=NC(=N1)C2=CC=CC=C2)Cl)C#N |
| InChIKey | FOQOFHGQPGHIJX-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile
Property Insights of 4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile
The XLogP value of 3.4 indicates that 4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile has 0 hydrogen bond donor(s) and 4 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-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile?
The CAS number of 4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile is 118996-61-5.
What is the molecular formula of 4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile?
The molecular formula of 4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile is C12H8ClN3S.
What is the molecular weight of 4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile?
The molecular weight of 4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile is 261.01276 g/mol.
Where can I buy 4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile?
You can request a quote for 4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-6-(methylthio)-2-phenylpyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.