6-Methyl-2-(2-propen-1-ylthio)-3-pyridinecarbonitrile
TL;DR: 6-Methyl-2-(2-propen-1-ylthio)-3-pyridinecarbonitrile (CAS 112629-70-6) is a chemical compound with molecular formula C10H10N2S and molecular weight 190.05647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile
Also Known As: 6-methyl-3-cyano-2-allylthiopyridine, 6-Methyl-2-(2-propen-1-ylthio)-3-pyridinecarbonitrile, 6-methyl-2-prop-2-enylthiopyridine-3-carbonitrile, 6-methyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile, 6-methyl-2-prop-2-enylsulfanyl-pyridine-3-carbonitrile
Technical Specifications
| Molecular Formula | C10H10N2S |
| Molecular Weight | 190.05647 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.05647 Da |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
| SMILES | CC1=NC(=C(C=C1)C#N)SCC=C |
| InChIKey | VJUPNYZHAGLVJL-UHFFFAOYSA-N |
Chemical Property Profile of 6-Methyl-2-(2-propen-1-ylthio)-3-pyridinecarbonitrile
Property Insights of 6-Methyl-2-(2-propen-1-ylthio)-3-pyridinecarbonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-2-(2-propen-1-ylthio)-3-pyridinecarbonitrile. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methyl-2-(2-propen-1-ylthio)-3-pyridinecarbonitrile. Following Lipinski's Rule of Five, 6-Methyl-2-(2-propen-1-ylthio)-3-pyridinecarbonitrile 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 6-Methyl-2-(2-propen-1-ylthio)-3-pyridinecarbonitrile?
The CAS number of 6-Methyl-2-(2-propen-1-ylthio)-3-pyridinecarbonitrile is 112629-70-6.
What is the molecular formula of 6-Methyl-2-(2-propen-1-ylthio)-3-pyridinecarbonitrile?
The molecular formula of 6-Methyl-2-(2-propen-1-ylthio)-3-pyridinecarbonitrile is C10H10N2S.
What is the molecular weight of 6-Methyl-2-(2-propen-1-ylthio)-3-pyridinecarbonitrile?
The molecular weight of 6-Methyl-2-(2-propen-1-ylthio)-3-pyridinecarbonitrile is 190.05647 g/mol.
Where can I buy 6-Methyl-2-(2-propen-1-ylthio)-3-pyridinecarbonitrile?
You can request a quote for 6-Methyl-2-(2-propen-1-ylthio)-3-pyridinecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methyl-2-(2-propen-1-ylthio)-3-pyridinecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 6-Methyl-2-(2-propen-1-ylthio)-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.