Basic information
- CAS
14620-23-6- Standard SMILES
CCN1C(=CC=CC=Cc2sc3cc(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
Overview
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Names & identifiers
- Preferred name
- 6-Chloro-2-[5-(6-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3-ethyl-1,3-benzothiazol-3-ium iodide
- IUPAC
- 6-chloro-2-[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-Chloro-2-[5-(6-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)penta-1,3-dien-1-yl]-3-ethyl-1,3-benzothiazol-3-ium iodideDTXSID90932785
Database identifiers
- CAS
14620-23-6- PubChem CID
- 26769
- DTXSID
DTXSID90932785
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
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Compound notes
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