2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE
TL;DR: 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE (CAS 1025223-71-5) is a chemical compound with molecular formula C15H15F3N2OS and molecular weight 328.08572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4-dimethyl-3-oxo-2-[[4-(trifluoromethylsulfanyl)anilino]methylidene]pentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE, 4,4-dimethyl-3-oxo-2-[[4-(trifluoromethylsulfanyl)anilino]methylidene]pentanenitrile, (2E)-4,4-Dimethyl-3-oxo-2-[[4-(trifluoromethylsulfanyl)anilino]methylidene]pentanenitrile, 4,4-dimethyl-3-oxo-2-[[[4-(trifluoromethylsulfanyl)phenyl]amino]methylidene]pentanenitrile, 4,4-dimethyl-3-oxo-2-[[4-(trifluoromethylsulfanyl)anilino]methylene]pentanenitrile
Technical Specifications
| Molecular Formula | C15H15F3N2OS |
| Molecular Weight | 328.08572 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.08572 Da |
| Heavy Atoms | 22 |
| Complexity | 477.0 |
| SMILES | CC(C)(C)C(=O)C(=CNC1=CC=C(C=C1)SC(F)(F)F)C#N |
| InChIKey | ZKFMCKJIZJZUBQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE
Property Insights of 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE
The XLogP value of 5.3 indicates that 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE. Following Lipinski's Rule of Five, 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE?
The CAS number of 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE is 1025223-71-5.
What is the molecular formula of 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE?
The molecular formula of 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE is C15H15F3N2OS.
What is the molecular weight of 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE?
The molecular weight of 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE is 328.08572 g/mol.
Where can I buy 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE?
You can request a quote for 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE?
Yes, CoreyChem provides custom synthesis services for 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHYLTHIO)PHENYL)AMINO)PROP-2-ENENITRILE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.