2-(4-pyridyl)ethyl p-tolyl sulfide
TL;DR: 2-(4-pyridyl)ethyl p-tolyl sulfide (CAS 62237-49-4) is a chemical compound with molecular formula C14H15NS and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-methylphenyl)sulfanylethyl]pyridine
Also Known As: 2-(4-pyridyl)ethyl p-tolyl sulfide, 4-(2-p-tolylsulfanyl-ethyl)-pyridine, 4-{2-[(4-methylphenyl)sulfanyl]ethyl}pyridine, 4-[2-(4-methylphenyl)sulfanylethyl]pyridine, Pyridine, 4-[2-[(4-methylphenyl)thio]ethyl]-
| Molecular Formula | C14H15NS |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.09251 |
| Heavy Atoms | 16 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 62237-49-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCC2=CC=NC=C2 |
| InChIKey | JWWYHPNWUHHPEJ-UHFFFAOYSA-N |
Product Overview
2-(4-pyridyl)ethyl p-tolyl sulfide (CAS 62237-49-4), with molecular formula C14H15NS and molecular weight 229.09 g/mol. IUPAC: 4-[2-(4-methylphenyl)sulfanylethyl]pyridine.
Chemical Property Profile of 2-(4-pyridyl)ethyl p-tolyl sulfide
Property Insights of 2-(4-pyridyl)ethyl p-tolyl sulfide
The XLogP value of 3.7 indicates that 2-(4-pyridyl)ethyl p-tolyl sulfide 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-(4-pyridyl)ethyl p-tolyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-pyridyl)ethyl p-tolyl sulfide 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-(4-pyridyl)ethyl p-tolyl sulfide?
The CAS number of 2-(4-pyridyl)ethyl p-tolyl sulfide is 62237-49-4.
What is the molecular formula of 2-(4-pyridyl)ethyl p-tolyl sulfide?
The molecular formula of 2-(4-pyridyl)ethyl p-tolyl sulfide is C14H15NS.
What is the molecular weight of 2-(4-pyridyl)ethyl p-tolyl sulfide?
The molecular weight of 2-(4-pyridyl)ethyl p-tolyl sulfide is 229.09 g/mol.
Where can I buy 2-(4-pyridyl)ethyl p-tolyl sulfide?
You can request a quote for 2-(4-pyridyl)ethyl p-tolyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-pyridyl)ethyl p-tolyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-pyridyl)ethyl p-tolyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.