![Pyridine, 4-[(tert-butylthio)methyl]-3-methyl- structure](/static/products/1879/18794-53-1.webp)
Pyridine, 4-[(tert-butylthio)methyl]-3-methyl-
TL;DR: Pyridine, 4-[(tert-butylthio)methyl]-3-methyl- (CAS 18794-53-1) 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.
4-(tert-butylsulfanylmethyl)-3-methylpyridine
Also Known As: Pyridine, 4-[(tert-butylthio)methyl]-3-methyl-, 4-(tert-butylsulfanylmethyl)-3-methylpyridine, 4-(tert-Butylthiomethyl)-3-methylpyridine, 3-Methyl-4-[(tert-butylthio)methyl]pyridine, 4-[(tert-Butylthio)methyl]-3-methylpyridine
| Molecular Formula | C11H17NS |
|---|---|
| Molecular Weight | 195.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.10817 |
| Heavy Atoms | 13 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 18794-53-1 |
|---|---|
| SMILES | CC1=C(C=CN=C1)CSC(C)(C)C |
| InChIKey | XFHWIZOKZFCTND-UHFFFAOYSA-N |
Product Overview
Pyridine, 4-[(tert-butylthio)methyl]-3-methyl- (CAS 18794-53-1), with molecular formula C11H17NS and molecular weight 195.11 g/mol. IUPAC: 4-(tert-butylsulfanylmethyl)-3-methylpyridine.
Chemical Property Profile of Pyridine, 4-[(tert-butylthio)methyl]-3-methyl-
Property Insights of Pyridine, 4-[(tert-butylthio)methyl]-3-methyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 4-[(tert-butylthio)methyl]-3-methyl-. With a topological polar surface area (TPSA) of 38.2 Ų, Pyridine, 4-[(tert-butylthio)methyl]-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 4-[(tert-butylthio)methyl]-3-methyl- 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-butylthio)methyl]-3-methyl-?
The CAS number of Pyridine, 4-[(tert-butylthio)methyl]-3-methyl- is 18794-53-1.
What is the molecular formula of Pyridine, 4-[(tert-butylthio)methyl]-3-methyl-?
The molecular formula of Pyridine, 4-[(tert-butylthio)methyl]-3-methyl- is C11H17NS.
What is the molecular weight of Pyridine, 4-[(tert-butylthio)methyl]-3-methyl-?
The molecular weight of Pyridine, 4-[(tert-butylthio)methyl]-3-methyl- is 195.11 g/mol.
Where can I buy Pyridine, 4-[(tert-butylthio)methyl]-3-methyl-?
You can request a quote for Pyridine, 4-[(tert-butylthio)methyl]-3-methyl- 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-butylthio)methyl]-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 4-[(tert-butylthio)methyl]-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.