3-Picoline, 2-(tert-butylthio)-
TL;DR: 3-Picoline, 2-(tert-butylthio)- (CAS 18833-87-9) is a chemical compound with molecular formula C10H15NS and molecular weight 181.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylsulfanyl-3-methylpyridine
Also Known As: 3-Picoline, 2-(tert-butylthio)-, 2-(tert-butylthio)-3-methylpyridine, 2-tert-butylsulfanyl-3-methylpyridine, 2-(tert-Butylthio)-3-picoline, 2-tert-Butylthio-3-methylpyridine
| Molecular Formula | C10H15NS |
|---|---|
| Molecular Weight | 181.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.09251 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 18833-87-9 |
|---|---|
| SMILES | CC1=C(N=CC=C1)SC(C)(C)C |
| InChIKey | CPVCTMVHEUAOFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Picoline, 2-(tert-butylthio)- (CAS 18833-87-9), with molecular formula C10H15NS and molecular weight 181.09 g/mol. IUPAC: 2-tert-butylsulfanyl-3-methylpyridine.
Chemical Property Profile of 3-Picoline, 2-(tert-butylthio)-
Property Insights of 3-Picoline, 2-(tert-butylthio)-
The XLogP value of 3.0 indicates that 3-Picoline, 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, 3-Picoline, 2-(tert-butylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Picoline, 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 3-Picoline, 2-(tert-butylthio)-?
The CAS number of 3-Picoline, 2-(tert-butylthio)- is 18833-87-9.
What is the molecular formula of 3-Picoline, 2-(tert-butylthio)-?
The molecular formula of 3-Picoline, 2-(tert-butylthio)- is C10H15NS.
What is the molecular weight of 3-Picoline, 2-(tert-butylthio)-?
The molecular weight of 3-Picoline, 2-(tert-butylthio)- is 181.09 g/mol.
Where can I buy 3-Picoline, 2-(tert-butylthio)-?
You can request a quote for 3-Picoline, 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 3-Picoline, 2-(tert-butylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Picoline, 2-(tert-butylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.