Basic information
- CAS
14795-76-7- Standard SMILES
CCN1C(=CC=CC=Cc2sc3cc(OC)ccc3[n+]2CC)Sc2cc(OC)ccc21.[I-]- InChIKey
WWUGXTIYSMORKR-UHFFFAOYSA-M- Molecular formula
- C25H27IN2O2S2
- Average molar mass
- 578.5 g/mol
- Monoisotopic mass
- 578.05587
Overview
See also: NK1129 (preferred).
Names & identifiers
- Preferred name
- 3-Ethyl-2-[5-(3-ethyl-6-methoxy-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-6-methoxy-1,3-benzothiazol-3-ium iodide
- IUPAC
- 3-ethyl-2-[5-(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-6-methoxy-1,3-benzothiazole iodide
Names & synonyms
3-Ethyl-2-[5-(3-ethyl-6-methoxy-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-6-methoxy-1,3-benzothiazol-3-ium iodideDTXSID10933259
Database identifiers
- CAS
14795-76-7- PubChem CID
- 26913
- DTXSID
DTXSID10933259
Properties
Computed structural properties
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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