2-[[3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]-1-ethylquinolinium iodide (CAS 50378-82-0) — formula C22H21IN2O2S, molecular weight 504.4; category organic chemicals.
| CAS Number | 50378-82-0 |
|---|---|
| Molecular Formula | C22H21IN2O2S |
| Molecular Weight | 504.4 |
| Category | Organic Chemicals |
2-[[3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]-1-ethylquinolinium iodide is a carbon-based organic compound with CAS registry number 50378-82-0 and molecular formula C22H21IN2O2S (molecular weight 504.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 50378-82-0
Its molecular formula C22H21IN2O2S comprises 22 C, 21 H, 1 I, 2 N, 2 O, 1 S atoms.
Also known as: 2-[[3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]-1-ethylquinolinium iodide · 2-[[3-(2-羧乙基)-3H-苯并噻唑-2-亚基]甲基]-1-乙基碘化喹啉
Category: organic chemicals
The CAS registry number of 2-[[3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]-1-ethylquinolinium iodide is 50378-82-0.
Molecular formula C22H21IN2O2S, molecular weight 504.4.
It is also registered under: 2-[[3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]-1-ethylquinolinium iodide, 2-[[3-(2-羧乙基)-3H-苯并噻唑-2-亚基]甲基]-1-乙基碘化喹啉.
Category: Organic Chemicals.
Independent reference data for 2-[[3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]-1-ethylquinolinium iodide (CAS 50378-82-0), compiled from public chemistry databases.
| CAS 号 | 50378-82-0 |
|---|---|
| PubChem CID | 6452202 |
| 分子式 | C22H21IN2O2S |
| IUPAC 名称 | 3-[(2Z)-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]propanoic acid iodide |
| Molecular Weight | 504.4 |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 504.03685 |
| Monoisotopic Mass | 504.03685 |
| Topological Polar Surface Area | 69.7 |
| Heavy Atom Count | 28 |
50378-82-0; EINECS 256-565-0; 2-((3-(2-Carboxyethyl)-3H-benzothiazol-2-ylidene)methyl)-1-ethylquinolinium iodide
2-[[3-(2-羧乙基)-3H-苯并噻唑-2-亚基]甲基]-1-乙基碘化喹啉 · CAS 50378-82-0 · C22H21IN2O2S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.