5-Acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile
TL;DR: 5-Acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile (CAS 215713-41-0) is a chemical compound with molecular formula C10H10N2OS and molecular weight 206.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-methyl-2-methylsulfanylpyridine-3-carbonitrile
Also Known As: 5-acetyl-6-methyl-2-(methylsulfanyl)pyridine-3-carbonitrile, 5-acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile, 10K-406S, BIM-0033912.P001, 5-acetyl-6-methyl-2-methylsulfanylpyridine-3-carbonitrile
| Molecular Formula | C10H10N2OS |
|---|---|
| Molecular Weight | 206.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 79.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.05139 |
| Heavy Atoms | 14 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 215713-41-0 |
|---|---|
| SMILES | CC1=C(C=C(C(=N1)SC)C#N)C(=O)C |
| InChIKey | KIMNZROETLLYGU-UHFFFAOYSA-N |
Product Overview
5-Acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile (CAS 215713-41-0), with molecular formula C10H10N2OS and molecular weight 206.05 g/mol. IUPAC: 5-acetyl-6-methyl-2-methylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 5-Acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile
Property Insights of 5-Acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile. The TPSA of 79.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile. Following Lipinski's Rule of Five, 5-Acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile?
The CAS number of 5-Acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile is 215713-41-0.
What is the molecular formula of 5-Acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile?
The molecular formula of 5-Acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile is C10H10N2OS.
What is the molecular weight of 5-Acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile?
The molecular weight of 5-Acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile is 206.05 g/mol.
Where can I buy 5-Acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile?
You can request a quote for 5-Acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-6-methyl-2-(methylsulfanyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.