Basic information
- CAS
18474-32-3- Standard SMILES
CCN1C(=Cc2sc3ccc4ccccc4c3[n+]2CC)Sc2ccc3ccccc3c21.[I-]- InChIKey
PWFSXENECCEVLB-UHFFFAOYSA-M- Molecular formula
- C27H23IN2S2
- Average molar mass
- 566.5 g/mol
- Monoisotopic mass
- 566.03474
Overview
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Names & identifiers
- Preferred name
- 1-Ethyl-2-[(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)methyl]naphtho[1,2-d][1,3]thiazol-1-ium iodide
- IUPAC
- 1-ethyl-2-[(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)methylidene]benzo[e][1,3]benzothiazole iodide
Names & synonyms
1-Ethyl-2-[(1-ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)methyl]naphtho[1,2-d][1,3]thiazol-1-ium iodideDTXSID70939893
Database identifiers
- CAS
18474-32-3- PubChem CID
- 29094
- DTXSID
DTXSID70939893
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 624
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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