3-(1-Benzothiophen-2-yl)benzonitrile
TL;DR: 3-(1-Benzothiophen-2-yl)benzonitrile (CAS 1023531-76-1) is a chemical compound with molecular formula C15H9NS and molecular weight 235.04558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-benzothiophen-2-yl)benzonitrile
Also Known As: 2-(3-Cyanophenyl)benzo[b]thiophene, 3-benzothiophen-2-ylbenzonitrile, 3-(1-benzothiophen-2-yl)benzonitrile, 2-benzo[b]thiophen-2-yl-benzonitrile, methyl [2,3'-bithiophene]-5-carboxylate
Technical Specifications
| Molecular Formula | C15H9NS |
| Molecular Weight | 235.04558 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.04558 Da |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
| SMILES | C1=CC=C2C(=C1)C=C(S2)C3=CC=CC(=C3)C#N |
| InChIKey | DRGCWHDTSKRHGS-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1-Benzothiophen-2-yl)benzonitrile
Property Insights of 3-(1-Benzothiophen-2-yl)benzonitrile
The XLogP value of 4.3 indicates that 3-(1-Benzothiophen-2-yl)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, 3-(1-Benzothiophen-2-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Benzothiophen-2-yl)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 3-(1-Benzothiophen-2-yl)benzonitrile?
The CAS number of 3-(1-Benzothiophen-2-yl)benzonitrile is 1023531-76-1.
What is the molecular formula of 3-(1-Benzothiophen-2-yl)benzonitrile?
The molecular formula of 3-(1-Benzothiophen-2-yl)benzonitrile is C15H9NS.
What is the molecular weight of 3-(1-Benzothiophen-2-yl)benzonitrile?
The molecular weight of 3-(1-Benzothiophen-2-yl)benzonitrile is 235.04558 g/mol.
Where can I buy 3-(1-Benzothiophen-2-yl)benzonitrile?
You can request a quote for 3-(1-Benzothiophen-2-yl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1-Benzothiophen-2-yl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 3-(1-Benzothiophen-2-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.