2-(3-Oxo-1-benzothiophen-2-ylidene)propanedinitrile
TL;DR: 2-(3-Oxo-1-benzothiophen-2-ylidene)propanedinitrile (CAS 29219-94-1) is a chemical compound with molecular formula C11H4N2OS and molecular weight 212.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxo-1-benzothiophen-2-ylidene)propanedinitrile
Also Known As: (3-oxo-3H-benzo[b]thiophen-2-ylidene)-malononitrile
| Molecular Formula | C11H4N2OS |
|---|---|
| Molecular Weight | 212.00 g/mol |
| LogP | 2.27626 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.00444 |
| Heavy Atoms | 15 |
| Complexity | 544.68604 |
Chemical Identifiers
| CAS Number | 29219-94-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C#N)C#N)S2 |
Product Overview
2-(3-Oxo-1-benzothiophen-2-ylidene)propanedinitrile (CAS 29219-94-1), with molecular formula C11H4N2OS and molecular weight 212.00 g/mol. IUPAC: 2-(3-oxo-1-benzothiophen-2-ylidene)propanedinitrile.
Chemical Property Profile of 2-(3-Oxo-1-benzothiophen-2-ylidene)propanedinitrile
Property Insights of 2-(3-Oxo-1-benzothiophen-2-ylidene)propanedinitrile
The XLogP value of 2.27626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Oxo-1-benzothiophen-2-ylidene)propanedinitrile. The TPSA of 64.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Oxo-1-benzothiophen-2-ylidene)propanedinitrile. Following Lipinski's Rule of Five, 2-(3-Oxo-1-benzothiophen-2-ylidene)propanedinitrile has 0 hydrogen bond donor(s) and 4 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-(3-Oxo-1-benzothiophen-2-ylidene)propanedinitrile?
The CAS number of 2-(3-Oxo-1-benzothiophen-2-ylidene)propanedinitrile is 29219-94-1.
What is the molecular formula of 2-(3-Oxo-1-benzothiophen-2-ylidene)propanedinitrile?
The molecular formula of 2-(3-Oxo-1-benzothiophen-2-ylidene)propanedinitrile is C11H4N2OS.
What is the molecular weight of 2-(3-Oxo-1-benzothiophen-2-ylidene)propanedinitrile?
The molecular weight of 2-(3-Oxo-1-benzothiophen-2-ylidene)propanedinitrile is 212.00 g/mol.
Where can I buy 2-(3-Oxo-1-benzothiophen-2-ylidene)propanedinitrile?
You can request a quote for 2-(3-Oxo-1-benzothiophen-2-ylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Oxo-1-benzothiophen-2-ylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Oxo-1-benzothiophen-2-ylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.