2-Thiophenepropanenitrile
TL;DR: 2-Thiophenepropanenitrile (CAS 5722-13-4) is a chemical compound with molecular formula C7H7NS and molecular weight 137.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-thiophen-2-ylpropanenitrile
Also Known As: 2-Thiophenepropanenitrile, 3-(Thiophen-2-yl)propanenitrile, 3-thiophen-2-ylpropanenitrile, 2-thiophenepropionitrile, 3-(2-Thienyl)propanenitrile
| Molecular Formula | C7H7NS |
|---|---|
| Molecular Weight | 137.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 137.02992 |
| Heavy Atoms | 9 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 5722-13-4 |
|---|---|
| SMILES | C1=CSC(=C1)CCC#N |
| InChIKey | JFHPLEDDWFMRMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Thiophenepropanenitrile (CAS 5722-13-4), with molecular formula C7H7NS and molecular weight 137.03 g/mol. IUPAC: 3-thiophen-2-ylpropanenitrile.
Chemical Property Profile of 2-Thiophenepropanenitrile
Property Insights of 2-Thiophenepropanenitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophenepropanenitrile. With a topological polar surface area (TPSA) of 52.0 Ų, 2-Thiophenepropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiophenepropanenitrile 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-Thiophenepropanenitrile?
The CAS number of 2-Thiophenepropanenitrile is 5722-13-4.
What is the molecular formula of 2-Thiophenepropanenitrile?
The molecular formula of 2-Thiophenepropanenitrile is C7H7NS.
What is the molecular weight of 2-Thiophenepropanenitrile?
The molecular weight of 2-Thiophenepropanenitrile is 137.03 g/mol.
Where can I buy 2-Thiophenepropanenitrile?
You can request a quote for 2-Thiophenepropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophenepropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenepropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.