2-(Allylthio)nicotinic acid
TL;DR: 2-(Allylthio)nicotinic acid (CAS 175135-25-8) is a chemical compound with molecular formula C9H9NO2S and molecular weight 195.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-prop-2-enylsulfanylpyridine-3-carboxylic acid
Also Known As: 2-(allylthio)nicotinic acid, ML099 Analog, 2-(Allylthio)nicotinicacid, Maybridge1_001317, 2-(allylsulfanyl)nicotinic acid
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 2.0579 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 325.14566 |
Chemical Identifiers
| CAS Number | 175135-25-8 |
|---|---|
| SMILES | C=CCSC1=C(C=CC=N1)C(=O)O |
Product Overview
2-(Allylthio)nicotinic acid (CAS 175135-25-8), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: 2-prop-2-enylsulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-(Allylthio)nicotinic acid
Property Insights of 2-(Allylthio)nicotinic acid
The XLogP value of 2.0579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Allylthio)nicotinic acid. With a topological polar surface area (TPSA) of 50.19 Ų, 2-(Allylthio)nicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Allylthio)nicotinic acid 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 2-(Allylthio)nicotinic acid?
The CAS number of 2-(Allylthio)nicotinic acid is 175135-25-8.
What is the molecular formula of 2-(Allylthio)nicotinic acid?
The molecular formula of 2-(Allylthio)nicotinic acid is C9H9NO2S.
What is the molecular weight of 2-(Allylthio)nicotinic acid?
The molecular weight of 2-(Allylthio)nicotinic acid is 195.04 g/mol.
Where can I buy 2-(Allylthio)nicotinic acid?
You can request a quote for 2-(Allylthio)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-(Allylthio)nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Allylthio)nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.