2-(Phenylsulfonyl)-3-(2-thienyl)acrylonitrile
TL;DR: 2-(Phenylsulfonyl)-3-(2-thienyl)acrylonitrile (CAS 17096-73-0) is a chemical compound with molecular formula C13H9NO2S2 and molecular weight 275.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-(benzenesulfonyl)-3-thiophen-2-ylprop-2-enenitrile
Also Known As: 2-(phenylsulfonyl)-3-(2-thienyl)acrylonitrile, (Z)-2-(benzenesulfonyl)-3-thiophen-2-ylprop-2-enenitrile, BAS 02251247, 2-(Phenylsulfonyl)-3-(2-thienyl)propenenitrile, 2-Benzenesulfonyl-3-thiophen-2-yl-acrylonitrile
| Molecular Formula | C13H9NO2S2 |
|---|---|
| Molecular Weight | 275.01 g/mol |
| LogP | 3.08648 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.00748 |
| Heavy Atoms | 18 |
| Complexity | 693.20447 |
Chemical Identifiers
| CAS Number | 17096-73-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)/C(=C\C2=CC=CS2)/C#N |
Product Overview
2-(Phenylsulfonyl)-3-(2-thienyl)acrylonitrile (CAS 17096-73-0), with molecular formula C13H9NO2S2 and molecular weight 275.01 g/mol. IUPAC: (Z)-2-(benzenesulfonyl)-3-thiophen-2-ylprop-2-enenitrile.
Chemical Property Profile of 2-(Phenylsulfonyl)-3-(2-thienyl)acrylonitrile
Property Insights of 2-(Phenylsulfonyl)-3-(2-thienyl)acrylonitrile
The XLogP value of 3.08648 indicates that 2-(Phenylsulfonyl)-3-(2-thienyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.93 Ų, 2-(Phenylsulfonyl)-3-(2-thienyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylsulfonyl)-3-(2-thienyl)acrylonitrile has 0 hydrogen bond donor(s) and 4 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-(Phenylsulfonyl)-3-(2-thienyl)acrylonitrile?
The CAS number of 2-(Phenylsulfonyl)-3-(2-thienyl)acrylonitrile is 17096-73-0.
What is the molecular formula of 2-(Phenylsulfonyl)-3-(2-thienyl)acrylonitrile?
The molecular formula of 2-(Phenylsulfonyl)-3-(2-thienyl)acrylonitrile is C13H9NO2S2.
What is the molecular weight of 2-(Phenylsulfonyl)-3-(2-thienyl)acrylonitrile?
The molecular weight of 2-(Phenylsulfonyl)-3-(2-thienyl)acrylonitrile is 275.01 g/mol.
Where can I buy 2-(Phenylsulfonyl)-3-(2-thienyl)acrylonitrile?
You can request a quote for 2-(Phenylsulfonyl)-3-(2-thienyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylsulfonyl)-3-(2-thienyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylsulfonyl)-3-(2-thienyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.