![Pyridine, 5-nitro-2-[(phenylmethyl)thio]- structure](/static/products/520/52024-31-4.png)
Pyridine, 5-nitro-2-[(phenylmethyl)thio]-
TL;DR: Pyridine, 5-nitro-2-[(phenylmethyl)thio]- (CAS 52024-31-4) 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-benzylsulfanyl-5-nitropyridine
Also Known As: 2-benzylthio-5-nitropyridine, 2-benzylmercapto-5-nitro-pyridine, 2-benzylsulfanyl-5-nitropyridine, 2-benzylsulfanyl-5-nitro-pyridine, benzyl 5-nitro-2-pyridinyl sulfide
| Molecular Formula | C12H10N2O2S |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.0463 |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 52024-31-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=C(C=C2)[N+](=O)[O-] |
| InChIKey | MGLFLVGCFWFENG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridine, 5-nitro-2-[(phenylmethyl)thio]- (CAS 52024-31-4), with molecular formula C12H10N2O2S and molecular weight 246.05 g/mol. IUPAC: 2-benzylsulfanyl-5-nitropyridine.
Chemical Property Profile of Pyridine, 5-nitro-2-[(phenylmethyl)thio]-
Property Insights of Pyridine, 5-nitro-2-[(phenylmethyl)thio]-
The XLogP value of 3.0 indicates that Pyridine, 5-nitro-2-[(phenylmethyl)thio]- 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 Pyridine, 5-nitro-2-[(phenylmethyl)thio]-. Following Lipinski's Rule of Five, Pyridine, 5-nitro-2-[(phenylmethyl)thio]- 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 Pyridine, 5-nitro-2-[(phenylmethyl)thio]-?
The CAS number of Pyridine, 5-nitro-2-[(phenylmethyl)thio]- is 52024-31-4.
What is the molecular formula of Pyridine, 5-nitro-2-[(phenylmethyl)thio]-?
The molecular formula of Pyridine, 5-nitro-2-[(phenylmethyl)thio]- is C12H10N2O2S.
What is the molecular weight of Pyridine, 5-nitro-2-[(phenylmethyl)thio]-?
The molecular weight of Pyridine, 5-nitro-2-[(phenylmethyl)thio]- is 246.05 g/mol.
Where can I buy Pyridine, 5-nitro-2-[(phenylmethyl)thio]-?
You can request a quote for Pyridine, 5-nitro-2-[(phenylmethyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 5-nitro-2-[(phenylmethyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 5-nitro-2-[(phenylmethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.