2-Benzylsulfanylpyridine
TL;DR: 2-Benzylsulfanylpyridine (CAS 51290-79-0) is a chemical compound with molecular formula C12H11NS and molecular weight 201.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanylpyridine
Also Known As: 2-benzylsulfanylpyridine, 2-(benzylsulfanyl)pyridine, 2-(benzylthio)pyridine, 2-Pyridylbenzyl sulfide, pyridine, 2-benzylthio-
| Molecular Formula | C12H11NS |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.06122 |
| Heavy Atoms | 14 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 51290-79-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CC=CC=N2 |
| InChIKey | SWFLBDIRSHVBOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzylsulfanylpyridine (CAS 51290-79-0), with molecular formula C12H11NS and molecular weight 201.06 g/mol. IUPAC: 2-benzylsulfanylpyridine.
Chemical Property Profile of 2-Benzylsulfanylpyridine
Property Insights of 2-Benzylsulfanylpyridine
The XLogP value of 3.2 indicates that 2-Benzylsulfanylpyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.2 Ų, 2-Benzylsulfanylpyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylsulfanylpyridine has 0 hydrogen bond donor(s) and 2 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-Benzylsulfanylpyridine?
The CAS number of 2-Benzylsulfanylpyridine is 51290-79-0.
What is the molecular formula of 2-Benzylsulfanylpyridine?
The molecular formula of 2-Benzylsulfanylpyridine is C12H11NS.
What is the molecular weight of 2-Benzylsulfanylpyridine?
The molecular weight of 2-Benzylsulfanylpyridine is 201.06 g/mol.
Where can I buy 2-Benzylsulfanylpyridine?
You can request a quote for 2-Benzylsulfanylpyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylsulfanylpyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylsulfanylpyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.