3-Nitropyridine-4-thiol
TL;DR: 3-Nitropyridine-4-thiol (CAS 98382-93-5) 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.
3-nitro-1H-pyridine-4-thione
Also Known As: 3-nitropyridine-4-thiol, 3-nitro-4-Pyridinethiol, 3-nitro-4-sulfanylpyridine, 3-nitro-1H-pyridine-4-thione, 3-Nitropyridine-4(1h)-thione
| 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 | 98382-93-5 |
|---|---|
| SMILES | C1=CNC=C(C1=S)[N+](=O)[O-] |
Product Overview
3-Nitropyridine-4-thiol (CAS 98382-93-5), with molecular formula C5H4N2O2S and molecular weight 156.00 g/mol. IUPAC: 3-nitro-1H-pyridine-4-thione.
Chemical Property Profile of 3-Nitropyridine-4-thiol
Property Insights of 3-Nitropyridine-4-thiol
The XLogP value of 1.65239 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitropyridine-4-thiol. With a topological polar surface area (TPSA) of 58.93 Ų, 3-Nitropyridine-4-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Nitropyridine-4-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 3-Nitropyridine-4-thiol?
The CAS number of 3-Nitropyridine-4-thiol is 98382-93-5.
What is the molecular formula of 3-Nitropyridine-4-thiol?
The molecular formula of 3-Nitropyridine-4-thiol is C5H4N2O2S.
What is the molecular weight of 3-Nitropyridine-4-thiol?
The molecular weight of 3-Nitropyridine-4-thiol is 156.00 g/mol.
Where can I buy 3-Nitropyridine-4-thiol?
You can request a quote for 3-Nitropyridine-4-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitropyridine-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitropyridine-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.