![3-Ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide structure](/static/products/1594/15941-82-9.webp)
3-Ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide
TL;DR: 3-Ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide (CAS 15941-82-9) is a chemical compound with molecular formula C21H21IN2S and molecular weight 460.04703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide
Also Known As: 1,3'-Diethyl-4,2'-quinolylthiacyanine iodide, 1,3'-Diethyl-4,2'-quinolylthiacyanineiodide, 1-Ethyl-4-((3-ethylbenzo[d]thiazol-2(3H)-ylidene)methyl)quinolin-1-ium iodide
Technical Specifications
| Molecular Formula | C21H21IN2S |
| Molecular Weight | 460.04703 g/mol |
| XLogP | 2.0818 |
| Topological Polar Surface Area (TPSA) | 32.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.04703 Da |
| Heavy Atoms | 25 |
| Complexity | 463.0 |
| SMILES | CCN1C2=CC=CC=C2SC1=CC3=CC=[N+](C4=CC=CC=C34)CC.[I-] |
| InChIKey | OVIKCIXFYVKSDD-UHFFFAOYSA-M |
Chemical Property Profile of 3-Ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide
Property Insights of 3-Ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide
The XLogP value of 2.0818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide. With a topological polar surface area (TPSA) of 32.4 Ų, 3-Ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide?
The CAS number of 3-Ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide is 15941-82-9.
What is the molecular formula of 3-Ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide?
The molecular formula of 3-Ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide is C21H21IN2S.
What is the molecular weight of 3-Ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide?
The molecular weight of 3-Ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide is 460.04703 g/mol.
Where can I buy 3-Ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide?
You can request a quote for 3-Ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide?
Yes, CoreyChem provides custom synthesis services for 3-Ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-1,3-benzothiazole iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.