2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile
TL;DR: 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile (CAS 112629-72-8) is a chemical compound with molecular formula C11H12N2S and molecular weight 204.07211 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-dimethyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile
Also Known As: 2-(allylsulfanyl)-4,6-dimethylnicotinonitrile, TimTec1_005120, 3-Furaldehyde diethyl acetal, BUTTPARK 131\40-18, 4,6-dimethyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile
Technical Specifications
| Molecular Formula | C11H12N2S |
| Molecular Weight | 204.07211 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.07211 Da |
| Heavy Atoms | 14 |
| Complexity | 243.0 |
| SMILES | CC1=CC(=NC(=C1C#N)SCC=C)C |
| InChIKey | ZVFKNYGODAVOPX-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile
Property Insights of 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile. Following Lipinski's Rule of Five, 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile 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 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile?
The CAS number of 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile is 112629-72-8.
What is the molecular formula of 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile?
The molecular formula of 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile is C11H12N2S.
What is the molecular weight of 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile?
The molecular weight of 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile is 204.07211 g/mol.
Where can I buy 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile?
You can request a quote for 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.