n-Octylpyridine-4-thione
TL;DR: n-Octylpyridine-4-thione (CAS 141537-35-1) is a chemical compound with molecular formula C13H21NS and molecular weight 223.13947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-octylpyridine-4-thione
Also Known As: n-Octylpyridine-4-thione, 1-octylpyridine-4-thione, 4(1H)-Pyridinethione,1-octyl-, 1-Octylpyridine-4(1H)-thione, 1-Octyl-4(1H)-pyridinethione #
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H21NS |
| Molecular Weight | 223.13947 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 223.13947 Da |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
| SMILES | CCCCCCCCN1C=CC(=S)C=C1 |
| InChIKey | NLECRNFONPHGMK-UHFFFAOYSA-N |
Chemical Property Profile of n-Octylpyridine-4-thione
Property Insights of n-Octylpyridine-4-thione
The XLogP value of 4.3 indicates that n-Octylpyridine-4-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, n-Octylpyridine-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Octylpyridine-4-thione 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
What is the CAS number of n-Octylpyridine-4-thione?
The CAS number of n-Octylpyridine-4-thione is 141537-35-1.
What is the molecular formula of n-Octylpyridine-4-thione?
The molecular formula of n-Octylpyridine-4-thione is C13H21NS.
What is the molecular weight of n-Octylpyridine-4-thione?
The molecular weight of n-Octylpyridine-4-thione is 223.13947 g/mol.
Where can I buy n-Octylpyridine-4-thione?
You can request a quote for n-Octylpyridine-4-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for n-Octylpyridine-4-thione?
Yes, CoreyChem provides custom synthesis services for n-Octylpyridine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.