4-(Pyridin-2-ylthio)benzonitrile
TL;DR: 4-(Pyridin-2-ylthio)benzonitrile (CAS 146596-03-4) is a chemical compound with molecular formula C12H8N2S and molecular weight 212.04082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-pyridin-2-ylsulfanylbenzonitrile
Also Known As: 4-(pyridin-2-ylthio)benzonitrile, 2-pyridyl 4-cyanophenyl sulfide, 4-pyridin-2-ylsulfanylbenzonitrile
Technical Specifications
| Molecular Formula | C12H8N2S |
| Molecular Weight | 212.04082 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.04082 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | C1=CC=NC(=C1)SC2=CC=C(C=C2)C#N |
| InChIKey | PVLNAAZHHDUZIX-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Pyridin-2-ylthio)benzonitrile
Property Insights of 4-(Pyridin-2-ylthio)benzonitrile
The XLogP value of 3.0 indicates that 4-(Pyridin-2-ylthio)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Pyridin-2-ylthio)benzonitrile. Following Lipinski's Rule of Five, 4-(Pyridin-2-ylthio)benzonitrile has 0 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-2-ylthio)benzonitrile?
The CAS number of 4-(Pyridin-2-ylthio)benzonitrile is 146596-03-4.
What is the molecular formula of 4-(Pyridin-2-ylthio)benzonitrile?
The molecular formula of 4-(Pyridin-2-ylthio)benzonitrile is C12H8N2S.
What is the molecular weight of 4-(Pyridin-2-ylthio)benzonitrile?
The molecular weight of 4-(Pyridin-2-ylthio)benzonitrile is 212.04082 g/mol.
Where can I buy 4-(Pyridin-2-ylthio)benzonitrile?
You can request a quote for 4-(Pyridin-2-ylthio)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Pyridin-2-ylthio)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(Pyridin-2-ylthio)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.