4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
TL;DR: 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile (CAS 109619-38-7) is a chemical compound with molecular formula C15H13N3S and molecular weight 267.083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, AE-848/34089013, 2-Mercapto-4-pyridin-4-yl-5,6,7,8-tetrahydro-quinoline-3-carbonitrile, 4-(pyridin-4-yl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-mercapto-4-(pyridin-4-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Technical Specifications
| Molecular Formula | C15H13N3S |
| Molecular Weight | 267.083 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 80.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 267.083 Da |
| Heavy Atoms | 19 |
| Complexity | 515.0 |
| SMILES | C1CCC2=C(C1)C(=C(C(=S)N2)C#N)C3=CC=NC=C3 |
| InChIKey | RDDCJKWXCSJOSQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Property Insights of 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile. Following Lipinski's Rule of Five, 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-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 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The CAS number of 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is 109619-38-7.
What is the molecular formula of 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The molecular formula of 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is C15H13N3S.
What is the molecular weight of 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
The molecular weight of 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile is 267.083 g/mol.
Where can I buy 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
You can request a quote for 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 4-pyridin-4-yl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.