4-(1-Benzothiophen-2-yl)benzonitrile
TL;DR: 4-(1-Benzothiophen-2-yl)benzonitrile (CAS 132932-64-0) is a chemical compound with molecular formula C15H9NS and molecular weight 235.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-benzothiophen-2-yl)benzonitrile
Also Known As: 4-(1-benzothiophen-2-yl)benzonitrile, 4-benzothiophen-2-ylbenzonitrile, 4-Benzo[b]thien-2-ylbenzonitrile, 4-(Benzo[b]thiophen-2-yl)benzonitrile, 4-(1-Benzothiophene-2-yl)benzonitrile
| Molecular Formula | C15H9NS |
|---|---|
| Molecular Weight | 235.05 g/mol |
| LogP | 4.43998 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.04558 |
| Heavy Atoms | 17 |
| Complexity | 668.61505 |
Chemical Identifiers
| CAS Number | 132932-64-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(S2)C3=CC=C(C=C3)C#N |
Product Overview
4-(1-Benzothiophen-2-yl)benzonitrile (CAS 132932-64-0), with molecular formula C15H9NS and molecular weight 235.05 g/mol. IUPAC: 4-(1-benzothiophen-2-yl)benzonitrile.
Chemical Property Profile of 4-(1-Benzothiophen-2-yl)benzonitrile
Property Insights of 4-(1-Benzothiophen-2-yl)benzonitrile
The XLogP value of 4.43998 indicates that 4-(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 23.79 Ų, 4-(1-Benzothiophen-2-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(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
Frequently Asked Questions
What is the CAS number of 4-(1-Benzothiophen-2-yl)benzonitrile?
The CAS number of 4-(1-Benzothiophen-2-yl)benzonitrile is 132932-64-0.
What is the molecular formula of 4-(1-Benzothiophen-2-yl)benzonitrile?
The molecular formula of 4-(1-Benzothiophen-2-yl)benzonitrile is C15H9NS.
What is the molecular weight of 4-(1-Benzothiophen-2-yl)benzonitrile?
The molecular weight of 4-(1-Benzothiophen-2-yl)benzonitrile is 235.05 g/mol.
Where can I buy 4-(1-Benzothiophen-2-yl)benzonitrile?
You can request a quote for 4-(1-Benzothiophen-2-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Benzothiophen-2-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Benzothiophen-2-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.