Benzothiazolium, 6-chloro-2-(5-(6-chloro-3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-ethyl-, iodide
Basic information
- CAS
14620-23-6- Standard SMILES
CCN1/C(=C/C=C/C=C/c2sc3cc(Cl)ccc3[n+]2CC)Sc2cc(Cl)ccc21.[I-]- InChIKey
BHVTYZJCMZEPLO-UHFFFAOYSA-M- Molecular formula
- C23H21Cl2IN2S2
- Average molar mass
- 587.4 g/mol
- Monoisotopic mass
- 585.95679
Names & identifiers
- Preferred name
- Benzothiazolium, 6-chloro-2-(5-(6-chloro-3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-ethyl-, iodide
- IUPAC
- (2Z)-6-chloro-2-[(2E,4E)-5-(6-chloro-3-ethyl-1,3-benzothiazol-3-ium-2-yl)penta-2,4-dienylidene]-3-ethyl-1,3-benzothiazole iodide
Names & synonyms
6,6'-Dichloro-3,3'-diethylthiadicarbocyanine iodide6,6'-Dichloro-3,3'-diethylpentamethinethiacyanine iodideBenzothiazolium, 6-chloro-2-(5-(6-chloro-3-ethyl-2-benzothiazolinylidene)-1,3-pentadienyl)-3-ethyl-, iodide14620-23-6RefChem:328233
Database identifiers
- CAS
14620-23-6- PubChem CID
- 6433604
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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