![3-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine structure](/static/products/988/98841-60-2.png)
3-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine
TL;DR: 3-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine (CAS 98841-60-2) is a chemical compound with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfanyl-3-nitropyridine
Also Known As: Maybridge1_000936, 3-nitro-2-[(4-methylphenyl)sulfanyl]pyridine, 2-(p-Tolylthio)-3-nitropyridine, 3-Nitro-2-(p-tolylthio)pyridine, 2-(4-methylphenyl)sulfanyl-3-nitropyridine
| Molecular Formula | C12H10N2O2S |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.0463 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 98841-60-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=CC=N2)[N+](=O)[O-] |
| InChIKey | FNKORSCJIMKGHT-UHFFFAOYSA-N |
Product Overview
3-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine (CAS 98841-60-2), with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol. IUPAC: 2-(4-methylphenyl)sulfanyl-3-nitropyridine.
Chemical Property Profile of 3-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine
Property Insights of 3-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine
The XLogP value of 3.4 indicates that 3-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine. Following Lipinski's Rule of Five, 3-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine has 0 hydrogen bond donor(s) and 4 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-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine?
The CAS number of 3-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine is 98841-60-2.
What is the molecular formula of 3-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine?
The molecular formula of 3-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine is C12H10N2O2S.
What is the molecular weight of 3-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine?
The molecular weight of 3-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine is 246.05 g/mol.
Where can I buy 3-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine?
You can request a quote for 3-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-2-[(4-methylphenyl)sulfanyl]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.