2-(2-Thienyl)-3-(4-toluidino)acrylonitrile
TL;DR: 2-(2-Thienyl)-3-(4-toluidino)acrylonitrile (CAS 303995-13-3) is a chemical compound with molecular formula C14H12N2S and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-methylanilino)-2-thiophen-2-ylprop-2-enenitrile
Also Known As: 2-(2-thienyl)-3-(4-toluidino)acrylonitrile, (2E)-3-[(4-methylphenyl)amino]-2-(thiophen-2-yl)prop-2-enenitrile, (E)-3-(4-methylanilino)-2-thiophen-2-ylprop-2-enenitrile, 12B-010, (E)-3-(4-methylanilino)-2-(2-thienyl)prop-2-enenitrile
| Molecular Formula | C14H12N2S |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 4.0331 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.07211 |
| Heavy Atoms | 17 |
| Complexity | 544.9082 |
Chemical Identifiers
| CAS Number | 303995-13-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N/C=C(\C#N)/C2=CC=CS2 |
Product Overview
2-(2-Thienyl)-3-(4-toluidino)acrylonitrile (CAS 303995-13-3), with molecular formula C14H12N2S and molecular weight 240.07 g/mol. IUPAC: (E)-3-(4-methylanilino)-2-thiophen-2-ylprop-2-enenitrile.
Chemical Property Profile of 2-(2-Thienyl)-3-(4-toluidino)acrylonitrile
Property Insights of 2-(2-Thienyl)-3-(4-toluidino)acrylonitrile
The XLogP value of 4.0331 indicates that 2-(2-Thienyl)-3-(4-toluidino)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, 2-(2-Thienyl)-3-(4-toluidino)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Thienyl)-3-(4-toluidino)acrylonitrile has 1 hydrogen bond donor(s) and 3 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)-3-(4-toluidino)acrylonitrile?
The CAS number of 2-(2-Thienyl)-3-(4-toluidino)acrylonitrile is 303995-13-3.
What is the molecular formula of 2-(2-Thienyl)-3-(4-toluidino)acrylonitrile?
The molecular formula of 2-(2-Thienyl)-3-(4-toluidino)acrylonitrile is C14H12N2S.
What is the molecular weight of 2-(2-Thienyl)-3-(4-toluidino)acrylonitrile?
The molecular weight of 2-(2-Thienyl)-3-(4-toluidino)acrylonitrile is 240.07 g/mol.
Where can I buy 2-(2-Thienyl)-3-(4-toluidino)acrylonitrile?
You can request a quote for 2-(2-Thienyl)-3-(4-toluidino)acrylonitrile 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)-3-(4-toluidino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Thienyl)-3-(4-toluidino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.