1,1,1-Ethanetricarbonitrile
TL;DR: 1,1,1-Ethanetricarbonitrile (CAS 10359-20-3) is a chemical compound with molecular formula C5H3N3 and molecular weight 105.0327 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethane-1,1,1-tricarbonitrile
Also Known As: Methylcyanoform, 1,1,1-Tricyanoethane, 1,1,1-Ethanetricarbonitrile, 2,2-dicyanopropionitrile, ethane-1,1,1-tricarbonitrile
Technical Specifications
| Molecular Formula | C5H3N3 |
| Molecular Weight | 105.0327 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 105.0327 Da |
| Heavy Atoms | 8 |
| Complexity | 183.0 |
| SMILES | CC(C#N)(C#N)C#N |
| InChIKey | VWUGKRZGPYWAPN-UHFFFAOYSA-N |
Chemical Property Profile of 1,1,1-Ethanetricarbonitrile
Property Insights of 1,1,1-Ethanetricarbonitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Ethanetricarbonitrile. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,1-Ethanetricarbonitrile. Following Lipinski's Rule of Five, 1,1,1-Ethanetricarbonitrile 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
What is the CAS number of 1,1,1-Ethanetricarbonitrile?
The CAS number of 1,1,1-Ethanetricarbonitrile is 10359-20-3.
What is the molecular formula of 1,1,1-Ethanetricarbonitrile?
The molecular formula of 1,1,1-Ethanetricarbonitrile is C5H3N3.
What is the molecular weight of 1,1,1-Ethanetricarbonitrile?
The molecular weight of 1,1,1-Ethanetricarbonitrile is 105.0327 g/mol.
Where can I buy 1,1,1-Ethanetricarbonitrile?
You can request a quote for 1,1,1-Ethanetricarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1,1-Ethanetricarbonitrile?
Yes, CoreyChem provides custom synthesis services for 1,1,1-Ethanetricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.