6-Mercaptonicotinic acid
TL;DR: 6-Mercaptonicotinic acid (CAS 93701-52-1) is a chemical compound with molecular formula C6H5NO2S and molecular weight 155.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-sulfanylidene-1H-pyridine-3-carboxylic acid
Also Known As: 6-Mercaptonicotinic acid, 6-Mercaptopyridine-3-carboxylic acid, 6-Mercaptonicotinicacid, 6-sulfanylnicotinic acid, 6-sulfanylpyridine-3-carboxylic acid
| Molecular Formula | C6H5NO2S |
|---|---|
| Molecular Weight | 155.00 g/mol |
| LogP | 1.44239 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.0041 |
| Heavy Atoms | 10 |
| Complexity | 284.36618 |
Chemical Identifiers
| CAS Number | 93701-52-1 |
|---|---|
| SMILES | C1=CC(=S)NC=C1C(=O)O |
Product Overview
6-Mercaptonicotinic acid (CAS 93701-52-1), with molecular formula C6H5NO2S and molecular weight 155.00 g/mol. IUPAC: 6-sulfanylidene-1H-pyridine-3-carboxylic acid.
Chemical Property Profile of 6-Mercaptonicotinic acid
Property Insights of 6-Mercaptonicotinic acid
The XLogP value of 1.44239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Mercaptonicotinic acid. With a topological polar surface area (TPSA) of 53.09 Ų, 6-Mercaptonicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Mercaptonicotinic acid has 2 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-Mercaptonicotinic acid?
The CAS number of 6-Mercaptonicotinic acid is 93701-52-1.
What is the molecular formula of 6-Mercaptonicotinic acid?
The molecular formula of 6-Mercaptonicotinic acid is C6H5NO2S.
What is the molecular weight of 6-Mercaptonicotinic acid?
The molecular weight of 6-Mercaptonicotinic acid is 155.00 g/mol.
Where can I buy 6-Mercaptonicotinic acid?
You can request a quote for 6-Mercaptonicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Mercaptonicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Mercaptonicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.