3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide
(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzoxazole iodide
Also Known As: EINECS 268-138-6|NK1049|3-ethyl-2-[methyl]benzoxazoliumiodide|NK-1049|3-ethyl-2-[ methyl]benzoxazoliumiodide|3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide|3-ETHYL-2-[(3-ETHYL-3H-BENZOTHIAZOL-2-YLIDENE)METHYL]BENZOXAZOLIUM IODIDE|(2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzoxazole iodide|Benzoxazolium, 3-ethyl-2-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-,iodide (1:1)|3-Ethyl-2-[(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-3H-1,3-benzoxazol-1-ium iodide
| Molecular Formula | C19H19IN2OS |
|---|---|
| Molecular Weight | 450.02628 g/mol |
| LogP | 1.43 |
| Topological Polar Surface Area | 16.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.02628 |
| Monoisotopic Mass | 450.02628 |
| Heavy Atoms | 24 |
| Complexity | 903.27313 |
Chemical Identifiers
| CAS Number | 68006-75-7 |
|---|---|
| SMILES | CCN\1C2=CC=CC=C2O/C1=C\C3=[N+](C4=CC=CC=C4S3)CC.[I-] |
Product Overview
3-Ethyl-2-((3-ethyl-3H-benzothiazol-2-ylidene)methyl)benzoxazoliumiodide (CAS 68006-75-7), with molecular formula C19H19IN2OS and molecular weight 450.02628 g/mol. IUPAC: (2Z)-3-ethyl-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzoxazole iodide.