6-Amino-4-(4-chlorophenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile
TL;DR: 6-Amino-4-(4-chlorophenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile (CAS 110691-02-6) is a chemical compound with molecular formula C13H7ClN4S and molecular weight 286.008 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-(4-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
Also Known As: 6-amino-4-(4-chlorophenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile, 2-amino-4-(4-chlorophenyl)-6-sulfanylpyridine-3,5-dicarbonitrile, 2-amino-4-(4-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
Technical Specifications
| Molecular Formula | C13H7ClN4S |
| Molecular Weight | 286.008 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.008 Da |
| Heavy Atoms | 19 |
| Complexity | 578.0 |
| SMILES | C1=CC(=CC=C1C2=C(C(=S)NC(=C2C#N)N)C#N)Cl |
| InChIKey | UVNAKEUHQWSNFY-UHFFFAOYSA-N |
Chemical Property Profile of 6-Amino-4-(4-chlorophenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile
Property Insights of 6-Amino-4-(4-chlorophenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-4-(4-chlorophenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-4-(4-chlorophenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 6-Amino-4-(4-chlorophenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile 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
What is the CAS number of 6-Amino-4-(4-chlorophenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile?
The CAS number of 6-Amino-4-(4-chlorophenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile is 110691-02-6.
What is the molecular formula of 6-Amino-4-(4-chlorophenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile?
The molecular formula of 6-Amino-4-(4-chlorophenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile is C13H7ClN4S.
What is the molecular weight of 6-Amino-4-(4-chlorophenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile?
The molecular weight of 6-Amino-4-(4-chlorophenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile is 286.008 g/mol.
Where can I buy 6-Amino-4-(4-chlorophenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile?
You can request a quote for 6-Amino-4-(4-chlorophenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Amino-4-(4-chlorophenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile?
Yes, CoreyChem provides custom synthesis services for 6-Amino-4-(4-chlorophenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.