5-Nitropyridine-2-thiol
TL;DR: 5-Nitropyridine-2-thiol (CAS 2127-09-5) is a chemical compound with molecular formula C5H4N2O2S and molecular weight 156.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1H-pyridine-2-thione
Also Known As: 2-Mercapto-5-nitropyridine, 5-nitro-2-pyridinethiol, 5-Nitropyridine-2-thiol, 5-nitro-1H-pyridine-2-thione, mercaptonitropyridine
| Molecular Formula | C5H4N2O2S |
|---|---|
| Molecular Weight | 156.00 g/mol |
| LogP | 1.65239 |
| Topological Polar Surface Area | 58.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.99934 |
| Heavy Atoms | 10 |
| Complexity | 286.2663 |
Chemical Identifiers
| CAS Number | 2127-09-5 |
|---|---|
| SMILES | C1=CC(=S)NC=C1[N+](=O)[O-] |
Product Overview
5-Nitropyridine-2-thiol (CAS 2127-09-5), with molecular formula C5H4N2O2S and molecular weight 156.00 g/mol. IUPAC: 5-nitro-1H-pyridine-2-thione.
Chemical Property Profile of 5-Nitropyridine-2-thiol
Property Insights of 5-Nitropyridine-2-thiol
The XLogP value of 1.65239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitropyridine-2-thiol. With a topological polar surface area (TPSA) of 58.93 Ų, 5-Nitropyridine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Nitropyridine-2-thiol 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-Nitropyridine-2-thiol?
The CAS number of 5-Nitropyridine-2-thiol is 2127-09-5.
What is the molecular formula of 5-Nitropyridine-2-thiol?
The molecular formula of 5-Nitropyridine-2-thiol is C5H4N2O2S.
What is the molecular weight of 5-Nitropyridine-2-thiol?
The molecular weight of 5-Nitropyridine-2-thiol is 156.00 g/mol.
Where can I buy 5-Nitropyridine-2-thiol?
You can request a quote for 5-Nitropyridine-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitropyridine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitropyridine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.