2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide
TL;DR: 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide (CAS 17579-01-0) is a chemical compound with molecular formula C13H17IN2S and molecular weight 360.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide
Also Known As: Benzothiazolium, 2-[2-(dimethylamino)ethenyl]-3-ethyl-, iodide, 2-[2-(Dimethylamino)ethen-1-yl]-3-ethyl-1,3-benzothiazol-3-ium iodide
| Molecular Formula | C13H17IN2S |
|---|---|
| Molecular Weight | 360.02 g/mol |
| LogP | -0.255 |
| Topological Polar Surface Area | 7.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.01572 |
| Heavy Atoms | 17 |
| Complexity | 517.1139 |
Chemical Identifiers
| CAS Number | 17579-01-0 |
|---|---|
| SMILES | CC[N+]1=C(SC2=CC=CC=C21)C=CN(C)C.[I-] |
Product Overview
2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide (CAS 17579-01-0), with molecular formula C13H17IN2S and molecular weight 360.02 g/mol. IUPAC: 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide.
Chemical Property Profile of 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide
Property Insights of 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide
The XLogP value of -0.255 indicates that 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 7.12 Ų, 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide 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 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide?
The CAS number of 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide is 17579-01-0.
What is the molecular formula of 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide?
The molecular formula of 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide is C13H17IN2S.
What is the molecular weight of 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide?
The molecular weight of 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide is 360.02 g/mol.
Where can I buy 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide?
You can request a quote for 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylethenamine iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.