6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile
TL;DR: 6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile (CAS 132360-04-4) is a chemical compound with molecular formula C12H7FN2S and molecular weight 230.0314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-fluorophenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile, 6-(4-fluorophenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile, 6-p-Fluorophenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile
Technical Specifications
| Molecular Formula | C12H7FN2S |
| Molecular Weight | 230.0314 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.0314 Da |
| Heavy Atoms | 16 |
| Complexity | 408.0 |
| SMILES | C1=CC(=CC=C1C2=CC=C(C(=S)N2)C#N)F |
| InChIKey | DMTCHOOFHMSHQK-UHFFFAOYSA-N |
Chemical Property Profile of 6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile
Property Insights of 6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile. Following Lipinski's Rule of Five, 6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile has 1 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 6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
The CAS number of 6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile is 132360-04-4.
What is the molecular formula of 6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
The molecular formula of 6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile is C12H7FN2S.
What is the molecular weight of 6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
The molecular weight of 6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile is 230.0314 g/mol.
Where can I buy 6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
You can request a quote for 6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 6-(4-Fluorophenyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.