3-(2-Thienyl)-2-propenenitrile
TL;DR: 3-(2-Thienyl)-2-propenenitrile (CAS 6041-28-7) is a chemical compound with molecular formula C7H5NS and molecular weight 135.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-thiophen-2-ylprop-2-enenitrile
Also Known As: 3-(2-Thienyl)acrylonitrile, 3-(2-Thienyl)-2-propenenitrile, 2-THIOPHENEACRYLONITRILE, beta-(Thien-2-yl) acrylonitrile, 3-thiophen-2-ylprop-2-enenitrile
| Molecular Formula | C7H5NS |
|---|---|
| Molecular Weight | 135.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.01427 |
| Heavy Atoms | 9 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 6041-28-7 |
|---|---|
| SMILES | C1=CSC(=C1)C=CC#N |
| InChIKey | CONLQGNBFRQUBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Thienyl)-2-propenenitrile (CAS 6041-28-7), with molecular formula C7H5NS and molecular weight 135.01 g/mol. IUPAC: 3-thiophen-2-ylprop-2-enenitrile.
Chemical Property Profile of 3-(2-Thienyl)-2-propenenitrile
Property Insights of 3-(2-Thienyl)-2-propenenitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Thienyl)-2-propenenitrile. With a topological polar surface area (TPSA) of 52.0 Ų, 3-(2-Thienyl)-2-propenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Thienyl)-2-propenenitrile 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 3-(2-Thienyl)-2-propenenitrile?
The CAS number of 3-(2-Thienyl)-2-propenenitrile is 6041-28-7.
What is the molecular formula of 3-(2-Thienyl)-2-propenenitrile?
The molecular formula of 3-(2-Thienyl)-2-propenenitrile is C7H5NS.
What is the molecular weight of 3-(2-Thienyl)-2-propenenitrile?
The molecular weight of 3-(2-Thienyl)-2-propenenitrile is 135.01 g/mol.
Where can I buy 3-(2-Thienyl)-2-propenenitrile?
You can request a quote for 3-(2-Thienyl)-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Thienyl)-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Thienyl)-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.