Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride
TL;DR: Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride (CAS 21070-68-8) is a chemical compound with molecular formula C13H14ClNS and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-phenylsulfanylethyl)pyridine;hydrochloride
Also Known As: Pyridine, hydrochloride, USAF IN-3, 4-(2-phenylsulfanylethyl)pyridine hydrochloride, Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride, 4-[2-(phenylsulfanyl)ethyl]pyridine hydrochloride
| Molecular Formula | C13H14ClNS |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 3.84 |
| Topological Polar Surface Area | 38.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.05354 |
| Heavy Atoms | 16 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 21070-68-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCCC2=CC=NC=C2.Cl |
| InChIKey | WKFNXURMDAVCKV-UHFFFAOYSA-N |
Product Overview
Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride (CAS 21070-68-8), with molecular formula C13H14ClNS and molecular weight 251.05 g/mol. IUPAC: 4-(2-phenylsulfanylethyl)pyridine;hydrochloride.
Chemical Property Profile of Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride
Property Insights of Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride
The XLogP value of 3.84 indicates that Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.2 Ų, Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride has 1 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 Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride?
The CAS number of Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride is 21070-68-8.
What is the molecular formula of Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride?
The molecular formula of Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride is C13H14ClNS.
What is the molecular weight of Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride?
The molecular weight of Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride is 251.05 g/mol.
Where can I buy Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride?
You can request a quote for Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.