2-Thenoylacetonitrile
TL;DR: 2-Thenoylacetonitrile (CAS 33898-90-7) is a chemical compound with molecular formula C7H5NOS and molecular weight 151.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-3-thiophen-2-ylpropanenitrile
Also Known As: 2-Thenoylacetonitrile, 3-oxo-3-(thiophen-2-yl)propanenitrile, 3-Oxo-3-(2-Thienyl)Propionitrile, 3-oxo-3-(2-thienyl)propanenitrile, 2-Thenoyl acetonitrile
| Molecular Formula | C7H5NOS |
|---|---|
| Molecular Weight | 151.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.00919 |
| Heavy Atoms | 10 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 33898-90-7 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)CC#N |
| InChIKey | XWWUQBHVRILEPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Thenoylacetonitrile (CAS 33898-90-7), with molecular formula C7H5NOS and molecular weight 151.01 g/mol. IUPAC: 3-oxo-3-thiophen-2-ylpropanenitrile.
Chemical Property Profile of 2-Thenoylacetonitrile
Property Insights of 2-Thenoylacetonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thenoylacetonitrile. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thenoylacetonitrile. Following Lipinski's Rule of Five, 2-Thenoylacetonitrile has 0 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-Thenoylacetonitrile?
The CAS number of 2-Thenoylacetonitrile is 33898-90-7.
What is the molecular formula of 2-Thenoylacetonitrile?
The molecular formula of 2-Thenoylacetonitrile is C7H5NOS.
What is the molecular weight of 2-Thenoylacetonitrile?
The molecular weight of 2-Thenoylacetonitrile is 151.01 g/mol.
Where can I buy 2-Thenoylacetonitrile?
You can request a quote for 2-Thenoylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thenoylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Thenoylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.