Pyridine, 4-tert-butyl-2-(tert-butylthio)-
TL;DR: Pyridine, 4-tert-butyl-2-(tert-butylthio)- (CAS 18794-38-2) is a chemical compound with molecular formula C13H21NS and molecular weight 223.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-2-tert-butylsulfanylpyridine
Also Known As: Pyridine, 4-tert-butyl-2-(tert-butylthio)-, 4-tert-butyl-2-tert-butylsulfanylpyridine, 4-tert-Butyl-2-(tert-butylthio)pyridine, 2-tert-Butylthio-4-tert-butylpyridine, 4-tert-Butyl-2-(tert-butylsulfanyl)pyridine
| Molecular Formula | C13H21NS |
|---|---|
| Molecular Weight | 223.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.13947 |
| Heavy Atoms | 15 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 18794-38-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=NC=C1)SC(C)(C)C |
| InChIKey | XBWSTVPXZTUJJG-UHFFFAOYSA-N |
Product Overview
Pyridine, 4-tert-butyl-2-(tert-butylthio)- (CAS 18794-38-2), with molecular formula C13H21NS and molecular weight 223.14 g/mol. IUPAC: 4-tert-butyl-2-tert-butylsulfanylpyridine.
Chemical Property Profile of Pyridine, 4-tert-butyl-2-(tert-butylthio)-
Property Insights of Pyridine, 4-tert-butyl-2-(tert-butylthio)-
The XLogP value of 4.4 indicates that Pyridine, 4-tert-butyl-2-(tert-butylthio)- 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-tert-butyl-2-(tert-butylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 4-tert-butyl-2-(tert-butylthio)- 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 Pyridine, 4-tert-butyl-2-(tert-butylthio)-?
The CAS number of Pyridine, 4-tert-butyl-2-(tert-butylthio)- is 18794-38-2.
What is the molecular formula of Pyridine, 4-tert-butyl-2-(tert-butylthio)-?
The molecular formula of Pyridine, 4-tert-butyl-2-(tert-butylthio)- is C13H21NS.
What is the molecular weight of Pyridine, 4-tert-butyl-2-(tert-butylthio)-?
The molecular weight of Pyridine, 4-tert-butyl-2-(tert-butylthio)- is 223.14 g/mol.
Where can I buy Pyridine, 4-tert-butyl-2-(tert-butylthio)-?
You can request a quote for Pyridine, 4-tert-butyl-2-(tert-butylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 4-tert-butyl-2-(tert-butylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 4-tert-butyl-2-(tert-butylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.