Basic information
- CAS
4609-41-0- Standard SMILES
CCN1/C(=C/c2ccc3ccccc3[n+]2C)Sc2ccccc21.[I-]- InChIKey
JWPUZUFARDVWGW-UHFFFAOYSA-M- Molecular formula
- C20H19IN2S
- Average molar mass
- 446.3 g/mol
- Monoisotopic mass
- 446.03137
Names & identifiers
- Preferred name
- 2-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodide
- IUPAC
- (2Z)-3-ethyl-2-[(1-methylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole iodide
Names & synonyms
4609-41-0EINECS 225-016-72-((3-Ethyl-3H-benzothiazol-2-ylidene)methyl)-1-methylquinolinium iodideDTXSID509634993-Ethyl-2-[(1-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium iodide
Database identifiers
- CAS
4609-41-0- PubChem CID
- 6452041
- DTXSID
DTXSID50963499- EC Number
- 225-016-7
Properties
Computed structural properties
- Topological polar surface area
- 32.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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