3-Tert-butylsulfanyl-4,5-dimethylpyridine
TL;DR: 3-Tert-butylsulfanyl-4,5-dimethylpyridine (CAS 18794-52-0) is a chemical compound with molecular formula C11H17NS and molecular weight 195.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butylsulfanyl-4,5-dimethylpyridine
Also Known As: 3-tert-butylsulfanyl-4,5-dimethylpyridine, 3,4-Lutidine, 5-(tert-butylthio)-, 3-tert-Butylthio-4,5-dimethylpyridine, 5-(tert-Butylthio)-3,4-lutidine, 3-(tert-Butylsulfanyl)-4,5-dimethylpyridine
| Molecular Formula | C11H17NS |
|---|---|
| Molecular Weight | 195.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.10817 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 18794-52-0 |
|---|---|
| SMILES | CC1=CN=CC(=C1C)SC(C)(C)C |
| InChIKey | NKEYQJJYGCIRKM-UHFFFAOYSA-N |
Product Overview
3-Tert-butylsulfanyl-4,5-dimethylpyridine (CAS 18794-52-0), with molecular formula C11H17NS and molecular weight 195.11 g/mol. IUPAC: 3-tert-butylsulfanyl-4,5-dimethylpyridine.
Chemical Property Profile of 3-Tert-butylsulfanyl-4,5-dimethylpyridine
Property Insights of 3-Tert-butylsulfanyl-4,5-dimethylpyridine
The XLogP value of 3.1 indicates that 3-Tert-butylsulfanyl-4,5-dimethylpyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.2 Ų, 3-Tert-butylsulfanyl-4,5-dimethylpyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butylsulfanyl-4,5-dimethylpyridine 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 3-Tert-butylsulfanyl-4,5-dimethylpyridine?
The CAS number of 3-Tert-butylsulfanyl-4,5-dimethylpyridine is 18794-52-0.
What is the molecular formula of 3-Tert-butylsulfanyl-4,5-dimethylpyridine?
The molecular formula of 3-Tert-butylsulfanyl-4,5-dimethylpyridine is C11H17NS.
What is the molecular weight of 3-Tert-butylsulfanyl-4,5-dimethylpyridine?
The molecular weight of 3-Tert-butylsulfanyl-4,5-dimethylpyridine is 195.11 g/mol.
Where can I buy 3-Tert-butylsulfanyl-4,5-dimethylpyridine?
You can request a quote for 3-Tert-butylsulfanyl-4,5-dimethylpyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butylsulfanyl-4,5-dimethylpyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butylsulfanyl-4,5-dimethylpyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.