6-Acetyl-2-mercapto-nicotinonitrile
TL;DR: 6-Acetyl-2-mercapto-nicotinonitrile (CAS 175277-42-6) is a chemical compound with molecular formula C8H6N2OS and molecular weight 178.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-acetyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 6-acetyl-2-mercaptonicotinonitrile, 6-Acetyl-2-mercapto-nicotinonitrile, Maybridge1_008672, 6-acetyl-2-sulfanylpyridine-3-carbonitrile, 6-Fluoro-3-methylnicotinaldehyde
| Molecular Formula | C8H6N2OS |
|---|---|
| Molecular Weight | 178.02 g/mol |
| LogP | 1.81847 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.02008 |
| Heavy Atoms | 12 |
| Complexity | 413.80142 |
Chemical Identifiers
| CAS Number | 175277-42-6 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C(=S)N1)C#N |
Product Overview
6-Acetyl-2-mercapto-nicotinonitrile (CAS 175277-42-6), with molecular formula C8H6N2OS and molecular weight 178.02 g/mol. IUPAC: 6-acetyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 6-Acetyl-2-mercapto-nicotinonitrile
Property Insights of 6-Acetyl-2-mercapto-nicotinonitrile
The XLogP value of 1.81847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Acetyl-2-mercapto-nicotinonitrile. With a topological polar surface area (TPSA) of 56.65 Ų, 6-Acetyl-2-mercapto-nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Acetyl-2-mercapto-nicotinonitrile 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 6-Acetyl-2-mercapto-nicotinonitrile?
The CAS number of 6-Acetyl-2-mercapto-nicotinonitrile is 175277-42-6.
What is the molecular formula of 6-Acetyl-2-mercapto-nicotinonitrile?
The molecular formula of 6-Acetyl-2-mercapto-nicotinonitrile is C8H6N2OS.
What is the molecular weight of 6-Acetyl-2-mercapto-nicotinonitrile?
The molecular weight of 6-Acetyl-2-mercapto-nicotinonitrile is 178.02 g/mol.
Where can I buy 6-Acetyl-2-mercapto-nicotinonitrile?
You can request a quote for 6-Acetyl-2-mercapto-nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Acetyl-2-mercapto-nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Acetyl-2-mercapto-nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.