Ethylenetricarbonitrile
TL;DR: Ethylenetricarbonitrile (CAS 997-76-2) is a chemical compound with molecular formula C(=C(C#N)C#N)C#N and molecular weight 103.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethene-1,1,2-tricarbonitrile
Also Known As: Tricyanoethylene, Ethylenetricarbonitrile, Tricyanoethene, Ethenetricarbonitrile, 1,1,2-Tricyanoethene
| Molecular Formula | C(=C(C#N)C#N)C#N |
|---|---|
| Molecular Weight | 103.02 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 103.017044 |
| Heavy Atoms | 8 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 997-76-2 |
|---|---|
| SMILES | C(=C(C#N)C#N)C#N |
| InChIKey | ZRSVHSCCNNSGKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethylenetricarbonitrile (CAS 997-76-2), with molecular formula C(=C(C#N)C#N)C#N and molecular weight 103.02 g/mol. IUPAC: ethene-1,1,2-tricarbonitrile.
Chemical Property Profile of Ethylenetricarbonitrile
Property Insights of Ethylenetricarbonitrile
The XLogP value of -0.1 indicates that Ethylenetricarbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethylenetricarbonitrile. Following Lipinski's Rule of Five, Ethylenetricarbonitrile 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 Ethylenetricarbonitrile?
The CAS number of Ethylenetricarbonitrile is 997-76-2.
What is the molecular formula of Ethylenetricarbonitrile?
The molecular formula of Ethylenetricarbonitrile is C(=C(C#N)C#N)C#N.
What is the molecular weight of Ethylenetricarbonitrile?
The molecular weight of Ethylenetricarbonitrile is 103.02 g/mol.
Where can I buy Ethylenetricarbonitrile?
You can request a quote for Ethylenetricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylenetricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Ethylenetricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.