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)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 | 422.03137 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 |
| Monoisotopic 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 422.03137 g/mol. IUPAC: N,N-dimethyl-4-[2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline iodide.
2-{2-[4-(Dimethylamino)phenyl]ethenyl}-3-methyl-1,3-benzothiazol-3-ium iodide is a custom synthesis product. We offer services from milligram to kilogram scale.
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