Basic information
- CAS
20682-19-3- Standard SMILES
CCN1C(=CC=C(Cl)C=Cc2sc3ccc4ccccc4c3[n+]2CC)Sc2ccc3ccccc3c21.[I-]- InChIKey
MHUDFURQKWLTHD-UHFFFAOYSA-M- Molecular formula
- C31H26ClIN2S2
- Average molar mass
- 653 g/mol
- Monoisotopic mass
- 652.02707
Overview
See also: NK 378 (preferred).
Names & identifiers
- Preferred name
- 2-[3-Chloro-5-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)penta-1,3-dien-1-yl]-1-ethylnaphtho[1,2-d][1,3]thiazol-1-ium iodide
- IUPAC
- 2-[3-chloro-5-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)penta-2,4-dienylidene]-1-ethylbenzo[e][1,3]benzothiazole iodide
Names & synonyms
2-[3-Chloro-5-(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)penta-1,3-dien-1-yl]-1-ethylnaphtho[1,2-d][1,3]thiazol-1-ium iodideDTXSID70942887
Database identifiers
- CAS
20682-19-3- PubChem CID
- 30221
- DTXSID
DTXSID70942887
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 804
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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