2-(2-Thienyl)benzonitrile
TL;DR: 2-(2-Thienyl)benzonitrile (CAS 125610-77-7) is a chemical compound with molecular formula C11H7NS and molecular weight 185.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thiophen-2-ylbenzonitrile
Also Known As: 2-(thiophen-2-yl)benzonitrile, 2-(2-thienyl)benzonitrile, 2-thiophen-2-ylbenzonitrile, Benzonitrile, 2-(2-thienyl)-, BB 0222683
| Molecular Formula | C11H7NS |
|---|---|
| Molecular Weight | 185.03 g/mol |
| LogP | 3.28678 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.02992 |
| Heavy Atoms | 13 |
| Complexity | 437.3639 |
Chemical Identifiers
| CAS Number | 125610-77-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)C2=CC=CS2 |
Product Overview
2-(2-Thienyl)benzonitrile (CAS 125610-77-7), with molecular formula C11H7NS and molecular weight 185.03 g/mol. IUPAC: 2-thiophen-2-ylbenzonitrile.
Chemical Property Profile of 2-(2-Thienyl)benzonitrile
Property Insights of 2-(2-Thienyl)benzonitrile
The XLogP value of 3.28678 indicates that 2-(2-Thienyl)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, 2-(2-Thienyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(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
Frequently Asked Questions
What is the CAS number of 2-(2-Thienyl)benzonitrile?
The CAS number of 2-(2-Thienyl)benzonitrile is 125610-77-7.
What is the molecular formula of 2-(2-Thienyl)benzonitrile?
The molecular formula of 2-(2-Thienyl)benzonitrile is C11H7NS.
What is the molecular weight of 2-(2-Thienyl)benzonitrile?
The molecular weight of 2-(2-Thienyl)benzonitrile is 185.03 g/mol.
Where can I buy 2-(2-Thienyl)benzonitrile?
You can request a quote for 2-(2-Thienyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Thienyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Thienyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.