(E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile
TL;DR: (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile (CAS 89986-24-3) is a chemical compound with molecular formula C13H9NS and molecular weight 211.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile
Also Known As: 3-phenyl-2-thien-2-ylacrylonitrile, (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile, ALPHA-(PHENYLMETHYLENE)-2-THIOPHENEACETONITRILE, (2E)-3-phenyl-2-(2-thienyl)prop-2-enenitrile, AI-942/25034882
| Molecular Formula | C13H9NS |
|---|---|
| Molecular Weight | 211.05 g/mol |
| LogP | 3.81228 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.04558 |
| Heavy Atoms | 15 |
| Complexity | 489.08716 |
Chemical Identifiers
| CAS Number | 89986-24-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=CS2 |
Product Overview
(E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile (CAS 89986-24-3), with molecular formula C13H9NS and molecular weight 211.05 g/mol. IUPAC: (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile.
Chemical Property Profile of (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile
Property Insights of (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile
The XLogP value of 3.81228 indicates that (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile 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 (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile?
The CAS number of (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile is 89986-24-3.
What is the molecular formula of (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile?
The molecular formula of (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile is C13H9NS.
What is the molecular weight of (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile?
The molecular weight of (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile is 211.05 g/mol.
Where can I buy (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile?
You can request a quote for (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-phenyl-2-thiophen-2-ylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.