6-Ethyl-2-mercapto-5-methyl-nicotinonitrile
TL;DR: 6-Ethyl-2-mercapto-5-methyl-nicotinonitrile (CAS 290299-51-3) is a chemical compound with molecular formula C9H10N2S and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 6-Ethyl-2-mercapto-5-methyl-nicotinonitrile, 6-Ethyl-5-methyl-2-sulfanylpyridine-3-carbonitrile, 6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile, AM-807/25099019, 6-ethyl-5-methyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C9H10N2S |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 2.48669 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.05647 |
| Heavy Atoms | 12 |
| Complexity | 384.4955 |
Chemical Identifiers
| CAS Number | 290299-51-3 |
|---|---|
| SMILES | CCC1=C(C=C(C(=S)N1)C#N)C |
Product Overview
6-Ethyl-2-mercapto-5-methyl-nicotinonitrile (CAS 290299-51-3), with molecular formula C9H10N2S and molecular weight 178.06 g/mol. IUPAC: 6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-Ethyl-2-mercapto-5-methyl-nicotinonitrile
Property Insights of 6-Ethyl-2-mercapto-5-methyl-nicotinonitrile
The XLogP value of 2.48669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Ethyl-2-mercapto-5-methyl-nicotinonitrile. With a topological polar surface area (TPSA) of 39.58 Ų, 6-Ethyl-2-mercapto-5-methyl-nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Ethyl-2-mercapto-5-methyl-nicotinonitrile has 1 hydrogen bond donor(s) and 2 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 6-Ethyl-2-mercapto-5-methyl-nicotinonitrile?
The CAS number of 6-Ethyl-2-mercapto-5-methyl-nicotinonitrile is 290299-51-3.
What is the molecular formula of 6-Ethyl-2-mercapto-5-methyl-nicotinonitrile?
The molecular formula of 6-Ethyl-2-mercapto-5-methyl-nicotinonitrile is C9H10N2S.
What is the molecular weight of 6-Ethyl-2-mercapto-5-methyl-nicotinonitrile?
The molecular weight of 6-Ethyl-2-mercapto-5-methyl-nicotinonitrile is 178.06 g/mol.
Where can I buy 6-Ethyl-2-mercapto-5-methyl-nicotinonitrile?
You can request a quote for 6-Ethyl-2-mercapto-5-methyl-nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Ethyl-2-mercapto-5-methyl-nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethyl-2-mercapto-5-methyl-nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.