4-Benzylsulfanylpyridine
TL;DR: 4-Benzylsulfanylpyridine (CAS 51290-78-9) 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.
4-benzylsulfanylpyridine
Also Known As: 4-(Benzylthio)pyridine, 4-benzylsulfanylpyridine, 4-Benzylmercaptopyridine, pyridine, 4-benzylthio-, 4-(Benzylthio)-pyridine
| Molecular Formula | C12H11NS |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | 2.9 |
| 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 | 148.0 |
Chemical Identifiers
| CAS Number | 51290-78-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CC=NC=C2 |
| InChIKey | WHHDQCXCEKZXHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzylsulfanylpyridine (CAS 51290-78-9), with molecular formula C12H11NS and molecular weight 201.06 g/mol. IUPAC: 4-benzylsulfanylpyridine.
Chemical Property Profile of 4-Benzylsulfanylpyridine
Property Insights of 4-Benzylsulfanylpyridine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzylsulfanylpyridine. With a topological polar surface area (TPSA) of 38.2 Ų, 4-Benzylsulfanylpyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-Benzylsulfanylpyridine?
The CAS number of 4-Benzylsulfanylpyridine is 51290-78-9.
What is the molecular formula of 4-Benzylsulfanylpyridine?
The molecular formula of 4-Benzylsulfanylpyridine is C12H11NS.
What is the molecular weight of 4-Benzylsulfanylpyridine?
The molecular weight of 4-Benzylsulfanylpyridine is 201.06 g/mol.
Where can I buy 4-Benzylsulfanylpyridine?
You can request a quote for 4-Benzylsulfanylpyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzylsulfanylpyridine?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylsulfanylpyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.