2-(Allylthio)-6-methylnicotinic acid
TL;DR: 2-(Allylthio)-6-methylnicotinic acid (CAS 127868-10-4) is a chemical compound with molecular formula C10H11NO2S and molecular weight 209.05106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-2-prop-2-enylsulfanylpyridine-3-carboxylic acid
Also Known As: 2-(Allylthio)-6-methylnicotinic acid, ZERO/008053, 2-(Allylsulphanyl)-6-methylnicotinic acid, 6-methyl-2-prop-2-enylsulfanylpyridine-3-carboxylic acid, 6-methyl-2-prop-2-enylthiopyridine-3-carboxylic acid
Technical Specifications
| Molecular Formula | C10H11NO2S |
| Molecular Weight | 209.05106 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 75.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.05106 Da |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
| SMILES | CC1=NC(=C(C=C1)C(=O)O)SCC=C |
| InChIKey | KUJMECMMIKSIEP-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Allylthio)-6-methylnicotinic acid
Property Insights of 2-(Allylthio)-6-methylnicotinic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Allylthio)-6-methylnicotinic acid. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Allylthio)-6-methylnicotinic acid. Following Lipinski's Rule of Five, 2-(Allylthio)-6-methylnicotinic acid has 1 hydrogen bond donor(s) and 4 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-(Allylthio)-6-methylnicotinic acid?
The CAS number of 2-(Allylthio)-6-methylnicotinic acid is 127868-10-4.
What is the molecular formula of 2-(Allylthio)-6-methylnicotinic acid?
The molecular formula of 2-(Allylthio)-6-methylnicotinic acid is C10H11NO2S.
What is the molecular weight of 2-(Allylthio)-6-methylnicotinic acid?
The molecular weight of 2-(Allylthio)-6-methylnicotinic acid is 209.05106 g/mol.
Where can I buy 2-(Allylthio)-6-methylnicotinic acid?
You can request a quote for 2-(Allylthio)-6-methylnicotinic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Allylthio)-6-methylnicotinic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Allylthio)-6-methylnicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.