3-Oxo-3-(thiophen-3-yl)propanenitrile
TL;DR: 3-Oxo-3-(thiophen-3-yl)propanenitrile (CAS 69879-30-7) 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-3-ylpropanenitrile
Also Known As: 3-oxo-3-(thiophen-3-yl)propanenitrile, 3-oxo-3-(3-thienyl)propanenitrile, 3-Ethoxy thiophenol, 3-THENOYLACETONITRILE, oxothienylpropanenitrile
| Molecular Formula | C7H5NOS |
|---|---|
| Molecular Weight | 151.01 g/mol |
| LogP | 1.84448 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.00919 |
| Heavy Atoms | 10 |
| Complexity | 257.6335 |
Chemical Identifiers
| CAS Number | 69879-30-7 |
|---|---|
| SMILES | C1=CSC=C1C(=O)CC#N |
Product Overview
3-Oxo-3-(thiophen-3-yl)propanenitrile (CAS 69879-30-7), with molecular formula C7H5NOS and molecular weight 151.01 g/mol. IUPAC: 3-oxo-3-thiophen-3-ylpropanenitrile.
Chemical Property Profile of 3-Oxo-3-(thiophen-3-yl)propanenitrile
Property Insights of 3-Oxo-3-(thiophen-3-yl)propanenitrile
The XLogP value of 1.84448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-3-(thiophen-3-yl)propanenitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 3-Oxo-3-(thiophen-3-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-3-(thiophen-3-yl)propanenitrile 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 3-Oxo-3-(thiophen-3-yl)propanenitrile?
The CAS number of 3-Oxo-3-(thiophen-3-yl)propanenitrile is 69879-30-7.
What is the molecular formula of 3-Oxo-3-(thiophen-3-yl)propanenitrile?
The molecular formula of 3-Oxo-3-(thiophen-3-yl)propanenitrile is C7H5NOS.
What is the molecular weight of 3-Oxo-3-(thiophen-3-yl)propanenitrile?
The molecular weight of 3-Oxo-3-(thiophen-3-yl)propanenitrile is 151.01 g/mol.
Where can I buy 3-Oxo-3-(thiophen-3-yl)propanenitrile?
You can request a quote for 3-Oxo-3-(thiophen-3-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-3-(thiophen-3-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-3-(thiophen-3-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.