1-methylpyridine-4(1H)-thione
TL;DR: 1-methylpyridine-4(1H)-thione (CAS 6887-59-8) is a chemical compound with molecular formula C6H7NS and molecular weight 125.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylpyridine-4-thione
Also Known As: 1-methylpyridine-4-thione, 1-methylpyridine-4(1h)-thione, 4(1H)-Pyridinethione, 1-methyl-, 1-methyl-4-pyridin-thione, 1-Methyl-4-pyridinthion
| Molecular Formula | C6H7NS |
|---|---|
| Molecular Weight | 125.03 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.02992 |
| Heavy Atoms | 8 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 6887-59-8 |
|---|---|
| SMILES | CN1C=CC(=S)C=C1 |
| InChIKey | AXSKLZVLVONUIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-methylpyridine-4(1H)-thione (CAS 6887-59-8), with molecular formula C6H7NS and molecular weight 125.03 g/mol. IUPAC: 1-methylpyridine-4-thione.
Chemical Property Profile of 1-methylpyridine-4(1H)-thione
Property Insights of 1-methylpyridine-4(1H)-thione
The XLogP value of -0.6 indicates that 1-methylpyridine-4(1H)-thione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.3 Ų, 1-methylpyridine-4(1H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methylpyridine-4(1H)-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
Frequently Asked Questions
What is the CAS number of 1-methylpyridine-4(1H)-thione?
The CAS number of 1-methylpyridine-4(1H)-thione is 6887-59-8.
What is the molecular formula of 1-methylpyridine-4(1H)-thione?
The molecular formula of 1-methylpyridine-4(1H)-thione is C6H7NS.
What is the molecular weight of 1-methylpyridine-4(1H)-thione?
The molecular weight of 1-methylpyridine-4(1H)-thione is 125.03 g/mol.
Where can I buy 1-methylpyridine-4(1H)-thione?
You can request a quote for 1-methylpyridine-4(1H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methylpyridine-4(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-methylpyridine-4(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.