3-(5-Formylthiophen-2-yl)benzonitrile
TL;DR: 3-(5-Formylthiophen-2-yl)benzonitrile (CAS 1220039-56-4) is a chemical compound with molecular formula C12H7NOS and molecular weight 213.02484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(5-formylthiophen-2-yl)benzonitrile
Also Known As: 3-(5-formylthiophen-2-yl)benzonitrile, 3-(5-formyl-2-thienyl)benzonitrile, 3-(5-Formyl-thiophen-2-yl)-benzonitrile, 5673AJ, 3-(5-formyl-2-thiophenyl)benzonitrile
Technical Specifications
| Molecular Formula | C12H7NOS |
| Molecular Weight | 213.02484 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 69.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.02484 Da |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
| SMILES | C1=CC(=CC(=C1)C2=CC=C(S2)C=O)C#N |
| InChIKey | WRLZFQODXIIEJG-UHFFFAOYSA-N |
Chemical Property Profile of 3-(5-Formylthiophen-2-yl)benzonitrile
Property Insights of 3-(5-Formylthiophen-2-yl)benzonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Formylthiophen-2-yl)benzonitrile. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Formylthiophen-2-yl)benzonitrile. Following Lipinski's Rule of Five, 3-(5-Formylthiophen-2-yl)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 3-(5-Formylthiophen-2-yl)benzonitrile?
The CAS number of 3-(5-Formylthiophen-2-yl)benzonitrile is 1220039-56-4.
What is the molecular formula of 3-(5-Formylthiophen-2-yl)benzonitrile?
The molecular formula of 3-(5-Formylthiophen-2-yl)benzonitrile is C12H7NOS.
What is the molecular weight of 3-(5-Formylthiophen-2-yl)benzonitrile?
The molecular weight of 3-(5-Formylthiophen-2-yl)benzonitrile is 213.02484 g/mol.
Where can I buy 3-(5-Formylthiophen-2-yl)benzonitrile?
You can request a quote for 3-(5-Formylthiophen-2-yl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(5-Formylthiophen-2-yl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 3-(5-Formylthiophen-2-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.