Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt
TL;DR: Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt (CAS 67943-66-2) is a chemical compound with molecular formula C13H13NS2 and molecular weight 247.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,6-dimethylquinolin-1-ium-2-yl)ethanedithioate
Also Known As: 2-(1,6-dimethylquinolin-2-yl)ethanedithioate, Quinolinium,6-dimethyl-, hydroxide, inner salt, 2-(1,6-dimethylquinolin-1-ium-2-yl)ethanedithioate, Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt, (1,6-Dimethylquinolin-1-ium-2-yl)ethane(dithioate)
| Molecular Formula | C13H13NS2 |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 37.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.04893 |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 67943-66-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)[N+](=C(C=C2)CC(=S)[S-])C |
| InChIKey | MPQRVXCNDLDKSH-UHFFFAOYSA-N |
Product Overview
Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt (CAS 67943-66-2), with molecular formula C13H13NS2 and molecular weight 247.05 g/mol. IUPAC: 2-(1,6-dimethylquinolin-1-ium-2-yl)ethanedithioate.
Chemical Property Profile of Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt
Property Insights of Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt
The XLogP value of 3.3 indicates that Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.0 Ų, Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt 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 Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt?
The CAS number of Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt is 67943-66-2.
What is the molecular formula of Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt?
The molecular formula of Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt is C13H13NS2.
What is the molecular weight of Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt?
The molecular weight of Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt is 247.05 g/mol.
Where can I buy Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt?
You can request a quote for Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for Quinolinium, 2-((dithiocarboxy)methyl)-1,6-dimethyl-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.