Pyridine, 3-(tert-butylthio)-
TL;DR: Pyridine, 3-(tert-butylthio)- (CAS 18794-30-4) is a chemical compound with molecular formula C9H13NS and molecular weight 167.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butylsulfanylpyridine
Also Known As: Pyridine, 3-(tert-butylthio)-, 3-(tert-Butylthio)pyridine, 3-tert-butylsulfanylpyridine, 3-tert-Butylthiopyridine, 3-tert-Butylthio-pyridin
| Molecular Formula | C9H13NS |
|---|---|
| Molecular Weight | 167.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.07687 |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 18794-30-4 |
|---|---|
| SMILES | CC(C)(C)SC1=CN=CC=C1 |
| InChIKey | OMPJHXLULXOAFP-UHFFFAOYSA-N |
Product Overview
Pyridine, 3-(tert-butylthio)- (CAS 18794-30-4), with molecular formula C9H13NS and molecular weight 167.08 g/mol. IUPAC: 3-tert-butylsulfanylpyridine.
Chemical Property Profile of Pyridine, 3-(tert-butylthio)-
Property Insights of Pyridine, 3-(tert-butylthio)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 3-(tert-butylthio)-. With a topological polar surface area (TPSA) of 38.2 Ų, Pyridine, 3-(tert-butylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 3-(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, 3-(tert-butylthio)-?
The CAS number of Pyridine, 3-(tert-butylthio)- is 18794-30-4.
What is the molecular formula of Pyridine, 3-(tert-butylthio)-?
The molecular formula of Pyridine, 3-(tert-butylthio)- is C9H13NS.
What is the molecular weight of Pyridine, 3-(tert-butylthio)-?
The molecular weight of Pyridine, 3-(tert-butylthio)- is 167.08 g/mol.
Where can I buy Pyridine, 3-(tert-butylthio)-?
You can request a quote for Pyridine, 3-(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, 3-(tert-butylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 3-(tert-butylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.