5-Acetyl-2-mercapto-6-methylnicotinonitrile
TL;DR: 5-Acetyl-2-mercapto-6-methylnicotinonitrile (CAS 165283-95-4) is a chemical compound with molecular formula C9H8N2OS and molecular weight 192.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-6-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 5-acetyl-2-mercapto-6-methylnicotinonitrile, 5-Acetyl-2-mercapto-6-methyl-nicotinonitrile, 5-acetyl-6-methyl-2-sulfanylpyridine-3-carbonitrile, 5-acetyl-6-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile, 5-acetyl-6-methyl-2-sulfanylnicotinonitrile
| Molecular Formula | C9H8N2OS |
|---|---|
| Molecular Weight | 192.04 g/mol |
| LogP | 2.12689 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.03574 |
| Heavy Atoms | 13 |
| Complexity | 453.663 |
Chemical Identifiers
| CAS Number | 165283-95-4 |
|---|---|
| SMILES | CC1=C(C=C(C(=S)N1)C#N)C(=O)C |
Product Overview
5-Acetyl-2-mercapto-6-methylnicotinonitrile (CAS 165283-95-4), with molecular formula C9H8N2OS and molecular weight 192.04 g/mol. IUPAC: 5-acetyl-6-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 5-Acetyl-2-mercapto-6-methylnicotinonitrile
Property Insights of 5-Acetyl-2-mercapto-6-methylnicotinonitrile
The XLogP value of 2.12689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-2-mercapto-6-methylnicotinonitrile. With a topological polar surface area (TPSA) of 56.65 Ų, 5-Acetyl-2-mercapto-6-methylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Acetyl-2-mercapto-6-methylnicotinonitrile has 1 hydrogen bond donor(s) and 3 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-2-mercapto-6-methylnicotinonitrile?
The CAS number of 5-Acetyl-2-mercapto-6-methylnicotinonitrile is 165283-95-4.
What is the molecular formula of 5-Acetyl-2-mercapto-6-methylnicotinonitrile?
The molecular formula of 5-Acetyl-2-mercapto-6-methylnicotinonitrile is C9H8N2OS.
What is the molecular weight of 5-Acetyl-2-mercapto-6-methylnicotinonitrile?
The molecular weight of 5-Acetyl-2-mercapto-6-methylnicotinonitrile is 192.04 g/mol.
Where can I buy 5-Acetyl-2-mercapto-6-methylnicotinonitrile?
You can request a quote for 5-Acetyl-2-mercapto-6-methylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-2-mercapto-6-methylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2-mercapto-6-methylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.