1-(2-hydroxyethyl)-2,6-dimethylpyridine-4(1H)-thione
TL;DR: 1-(2-hydroxyethyl)-2,6-dimethylpyridine-4(1H)-thione (CAS 85870-90-2) is a chemical compound with molecular formula C9H13NOS and molecular weight 183.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-hydroxyethyl)-2,6-dimethylpyridine-4-thione
Also Known As: 1-(2-hydroxyethyl)-2,6-dimethylpyridine-4(1H)-thione, 2-(2,6-dimethyl-4-thioxohydropyridyl)ethan-1-ol, 1-(2-hydroxyethyl)-2,6-dimethylpyridine-4-thione, 1-(2-Hydroxy-ethyl)-2,6-dimethyl-1H-pyridine-4-thione, 1-(2-hydroxyethyl)-2,6-dimethyl-4(1H)-pyridinethione
| Molecular Formula | C9H13NOS |
|---|---|
| Molecular Weight | 183.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.0718 |
| Heavy Atoms | 12 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 85870-90-2 |
|---|---|
| SMILES | CC1=CC(=S)C=C(N1CCO)C |
| InChIKey | NSHZQGGNPXEZFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-hydroxyethyl)-2,6-dimethylpyridine-4(1H)-thione (CAS 85870-90-2), with molecular formula C9H13NOS and molecular weight 183.07 g/mol. IUPAC: 1-(2-hydroxyethyl)-2,6-dimethylpyridine-4-thione.
Chemical Property Profile of 1-(2-hydroxyethyl)-2,6-dimethylpyridine-4(1H)-thione
Property Insights of 1-(2-hydroxyethyl)-2,6-dimethylpyridine-4(1H)-thione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-hydroxyethyl)-2,6-dimethylpyridine-4(1H)-thione. With a topological polar surface area (TPSA) of 55.6 Ų, 1-(2-hydroxyethyl)-2,6-dimethylpyridine-4(1H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-hydroxyethyl)-2,6-dimethylpyridine-4(1H)-thione has 1 hydrogen bond donor(s) and 3 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-(2-hydroxyethyl)-2,6-dimethylpyridine-4(1H)-thione?
The CAS number of 1-(2-hydroxyethyl)-2,6-dimethylpyridine-4(1H)-thione is 85870-90-2.
What is the molecular formula of 1-(2-hydroxyethyl)-2,6-dimethylpyridine-4(1H)-thione?
The molecular formula of 1-(2-hydroxyethyl)-2,6-dimethylpyridine-4(1H)-thione is C9H13NOS.
What is the molecular weight of 1-(2-hydroxyethyl)-2,6-dimethylpyridine-4(1H)-thione?
The molecular weight of 1-(2-hydroxyethyl)-2,6-dimethylpyridine-4(1H)-thione is 183.07 g/mol.
Where can I buy 1-(2-hydroxyethyl)-2,6-dimethylpyridine-4(1H)-thione?
You can request a quote for 1-(2-hydroxyethyl)-2,6-dimethylpyridine-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-(2-hydroxyethyl)-2,6-dimethylpyridine-4(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-hydroxyethyl)-2,6-dimethylpyridine-4(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.