2-Benzylsulfanyl-1-oxidopyridin-1-ium
TL;DR: 2-Benzylsulfanyl-1-oxidopyridin-1-ium (CAS 3915-60-4) is a chemical compound with molecular formula C12H11NOS and molecular weight 217.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-1-oxidopyridin-1-ium
Also Known As: 2-benzylsulfanyl-1-oxidopyridin-1-ium, 2-(Benzylthio)pyridine 1-oxide, 2-(benzylthio)pyridine-1-oxide, pyridine, 1-oxide, 2-benzylthio-, 2-(benzylsulfanyl)pyridine 1-oxide
| Molecular Formula | C12H11NOS |
|---|---|
| Molecular Weight | 217.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.05614 |
| Heavy Atoms | 15 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 3915-60-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CC=CC=[N+]2[O-] |
| InChIKey | RYMZHWFUNAGVJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzylsulfanyl-1-oxidopyridin-1-ium (CAS 3915-60-4), with molecular formula C12H11NOS and molecular weight 217.06 g/mol. IUPAC: 2-benzylsulfanyl-1-oxidopyridin-1-ium.
Chemical Property Profile of 2-Benzylsulfanyl-1-oxidopyridin-1-ium
Property Insights of 2-Benzylsulfanyl-1-oxidopyridin-1-ium
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzylsulfanyl-1-oxidopyridin-1-ium. With a topological polar surface area (TPSA) of 50.8 Ų, 2-Benzylsulfanyl-1-oxidopyridin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzylsulfanyl-1-oxidopyridin-1-ium 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-Benzylsulfanyl-1-oxidopyridin-1-ium?
The CAS number of 2-Benzylsulfanyl-1-oxidopyridin-1-ium is 3915-60-4.
What is the molecular formula of 2-Benzylsulfanyl-1-oxidopyridin-1-ium?
The molecular formula of 2-Benzylsulfanyl-1-oxidopyridin-1-ium is C12H11NOS.
What is the molecular weight of 2-Benzylsulfanyl-1-oxidopyridin-1-ium?
The molecular weight of 2-Benzylsulfanyl-1-oxidopyridin-1-ium is 217.06 g/mol.
Where can I buy 2-Benzylsulfanyl-1-oxidopyridin-1-ium?
You can request a quote for 2-Benzylsulfanyl-1-oxidopyridin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzylsulfanyl-1-oxidopyridin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzylsulfanyl-1-oxidopyridin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.