4-(2-Thienyl)benzonitrile
TL;DR: 4-(2-Thienyl)benzonitrile (CAS 15961-46-3) is a chemical compound with molecular formula C11H7NS and molecular weight 185.02992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-thiophen-2-ylbenzonitrile
Also Known As: 4-(2-thienyl)benzonitrile, 4-(THIOPHEN-2-YL)BENZONITRILE, 4-thiophen-2-ylbenzonitrile, 2-(4-cyanophenyl)thiophene, Benzonitrile, 4-(2-thienyl)-
Technical Specifications
| Molecular Formula | C11H7NS |
| Molecular Weight | 185.02992 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.02992 Da |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
| SMILES | C1=CSC(=C1)C2=CC=C(C=C2)C#N |
| InChIKey | FLJORSLXGMBXBK-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-Thienyl)benzonitrile
Property Insights of 4-(2-Thienyl)benzonitrile
The XLogP value of 3.5 indicates that 4-(2-Thienyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 4-(2-Thienyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Thienyl)benzonitrile has 0 hydrogen bond donor(s) and 2 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-(2-Thienyl)benzonitrile?
The CAS number of 4-(2-Thienyl)benzonitrile is 15961-46-3.
What is the molecular formula of 4-(2-Thienyl)benzonitrile?
The molecular formula of 4-(2-Thienyl)benzonitrile is C11H7NS.
What is the molecular weight of 4-(2-Thienyl)benzonitrile?
The molecular weight of 4-(2-Thienyl)benzonitrile is 185.02992 g/mol.
Where can I buy 4-(2-Thienyl)benzonitrile?
You can request a quote for 4-(2-Thienyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-Thienyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(2-Thienyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.