2-Mercapto-3-nitropyridine
TL;DR: 2-Mercapto-3-nitropyridine (CAS 38507-89-0) 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.
3-nitro-1H-pyridine-2-thione
Also Known As: 3-nitropyridine-2-thiol, 3-Nitro-2-pyridinethiol, 3-nitro-1H-pyridine-2-thione, 2-Mercapto-3-nitropyridine, 2(1H)-Pyridinethione, 3-nitro-
| 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 | 306.5163 |
Chemical Identifiers
| CAS Number | 38507-89-0 |
|---|---|
| SMILES | C1=CNC(=S)C(=C1)[N+](=O)[O-] |
Product Overview
2-Mercapto-3-nitropyridine (CAS 38507-89-0), with molecular formula C5H4N2O2S and molecular weight 156.00 g/mol. IUPAC: 3-nitro-1H-pyridine-2-thione.
Chemical Property Profile of 2-Mercapto-3-nitropyridine
Property Insights of 2-Mercapto-3-nitropyridine
The XLogP value of 1.65239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercapto-3-nitropyridine. With a topological polar surface area (TPSA) of 58.93 Ų, 2-Mercapto-3-nitropyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercapto-3-nitropyridine 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-Mercapto-3-nitropyridine?
The CAS number of 2-Mercapto-3-nitropyridine is 38507-89-0.
What is the molecular formula of 2-Mercapto-3-nitropyridine?
The molecular formula of 2-Mercapto-3-nitropyridine is C5H4N2O2S.
What is the molecular weight of 2-Mercapto-3-nitropyridine?
The molecular weight of 2-Mercapto-3-nitropyridine is 156.00 g/mol.
Where can I buy 2-Mercapto-3-nitropyridine?
You can request a quote for 2-Mercapto-3-nitropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercapto-3-nitropyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercapto-3-nitropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.