![2-[(4-Nitrobenzyl)sulfanyl]pyridine structure](/static/products/1047/104742-05-4.webp)
2-[(4-Nitrobenzyl)sulfanyl]pyridine
TL;DR: 2-[(4-Nitrobenzyl)sulfanyl]pyridine (CAS 104742-05-4) is a chemical compound with molecular formula C12H10N2O2S and molecular weight 246.0463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-nitrophenyl)methylsulfanyl]pyridine
Also Known As: 2-[(4-nitrobenzyl)sulfanyl]pyridine, 4-Nitrobenzyl(2-pyridinyl) sulfide, 2-[(4-nitrophenyl)methylsulfanyl]pyridine, 2-{[(4-NITROPHENYL)METHYL]SULFANYL}PYRIDINE, 2-(4-NITRO-BENZYLSULFANYL)-PYRIDINE
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H10N2O2S |
| Molecular Weight | 246.0463 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.0463 Da |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
| SMILES | C1=CC=NC(=C1)SCC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | SAGZPBGIVZXYBE-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(4-Nitrobenzyl)sulfanyl]pyridine
Property Insights of 2-[(4-Nitrobenzyl)sulfanyl]pyridine
The XLogP value of 3.0 indicates that 2-[(4-Nitrobenzyl)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 2-[(4-Nitrobenzyl)sulfanyl]pyridine. Following Lipinski's Rule of Five, 2-[(4-Nitrobenzyl)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
What is the CAS number of 2-[(4-Nitrobenzyl)sulfanyl]pyridine?
The CAS number of 2-[(4-Nitrobenzyl)sulfanyl]pyridine is 104742-05-4.
What is the molecular formula of 2-[(4-Nitrobenzyl)sulfanyl]pyridine?
The molecular formula of 2-[(4-Nitrobenzyl)sulfanyl]pyridine is C12H10N2O2S.
What is the molecular weight of 2-[(4-Nitrobenzyl)sulfanyl]pyridine?
The molecular weight of 2-[(4-Nitrobenzyl)sulfanyl]pyridine is 246.0463 g/mol.
Where can I buy 2-[(4-Nitrobenzyl)sulfanyl]pyridine?
You can request a quote for 2-[(4-Nitrobenzyl)sulfanyl]pyridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(4-Nitrobenzyl)sulfanyl]pyridine?
Yes, CoreyChem provides custom synthesis services for 2-[(4-Nitrobenzyl)sulfanyl]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.