![2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide structure](/static/products/2006/20064-83-9.webp)
2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide
TL;DR: 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide (CAS 20064-83-9) is a chemical compound with molecular formula C18H19IN2S and molecular weight 422.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline iodide
Also Known As: 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide, N,N-dimethyl-4-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethe, 2-{2-[4-(Dimethylamino)phenyl]ethen-1-yl}-3-methyl-1,3-benzothiazol-3-ium iodide, Benzothiazolium, 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-, iodide, N,N-dimethyl-4-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline iodide
| Molecular Formula | C18H19IN2S |
|---|---|
| Molecular Weight | 422.03 g/mol |
| LogP | 0.9662 |
| Topological Polar Surface Area | 35.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.03137 |
| Heavy Atoms | 22 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 20064-83-9 |
|---|---|
| SMILES | C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=C(C=C3)N(C)C.[I-] |
| InChIKey | ISQZSFZTDBJRBP-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide (CAS 20064-83-9), with molecular formula C18H19IN2S and molecular weight 422.03 g/mol. IUPAC: N,N-dimethyl-4-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline iodide.
Chemical Property Profile of 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide
Property Insights of 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide
The XLogP value of 0.9662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide. With a topological polar surface area (TPSA) of 35.4 Ų, 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium 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
Frequently Asked Questions
What is the CAS number of 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide?
The CAS number of 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide is 20064-83-9.
What is the molecular formula of 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide?
The molecular formula of 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide is C18H19IN2S.
What is the molecular weight of 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide?
The molecular weight of 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide is 422.03 g/mol.
Where can I buy 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide?
You can request a quote for 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.