2-(Ethylthio)nicotinic acid
TL;DR: 2-(Ethylthio)nicotinic acid (CAS 27868-76-4) is a chemical compound with molecular formula C8H9NO2S and molecular weight 183.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanylpyridine-3-carboxylic acid
Also Known As: 2-(Ethylthio)nicotinic acid, Maybridge1_001449, 2-ethylsulfanylpyridine-3-carboxylic acid, 2-(ethylthio) nicotinic acid, 2-ethylsulfanyl-nicotinic acid
| Molecular Formula | C8H9NO2S |
|---|---|
| Molecular Weight | 183.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.0354 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 27868-76-4 |
|---|---|
| SMILES | CCSC1=C(C=CC=N1)C(=O)O |
| InChIKey | LYHPPDODTUEXAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Ethylthio)nicotinic acid (CAS 27868-76-4), with molecular formula C8H9NO2S and molecular weight 183.04 g/mol. IUPAC: 2-ethylsulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-(Ethylthio)nicotinic acid
Property Insights of 2-(Ethylthio)nicotinic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethylthio)nicotinic acid. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Ethylthio)nicotinic acid. Following Lipinski's Rule of Five, 2-(Ethylthio)nicotinic 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
Frequently Asked Questions
What is the CAS number of 2-(Ethylthio)nicotinic acid?
The CAS number of 2-(Ethylthio)nicotinic acid is 27868-76-4.
What is the molecular formula of 2-(Ethylthio)nicotinic acid?
The molecular formula of 2-(Ethylthio)nicotinic acid is C8H9NO2S.
What is the molecular weight of 2-(Ethylthio)nicotinic acid?
The molecular weight of 2-(Ethylthio)nicotinic acid is 183.04 g/mol.
Where can I buy 2-(Ethylthio)nicotinic acid?
You can request a quote for 2-(Ethylthio)nicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethylthio)nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethylthio)nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.