Basic information
- CAS
54290-14-1- Standard SMILES
CCN1C(=CC=Cc2scc(-c3ccccc3)[n+]2CC)SC=C1c1ccccc1.[I-]- InChIKey
GNNYYJJAXTZZMO-UHFFFAOYSA-M- Molecular formula
- C25H25IN2S2
- Average molar mass
- 544.5 g/mol
- Monoisotopic mass
- 544.05039
Names & identifiers
- Preferred name
- 3-Ethyl-2-[3-(3-ethyl-4-phenyl-1,3-thiazol-2(3H)-ylidene)prop-1-en-1-yl]-4-phenyl-1,3-thiazol-3-ium iodide
- IUPAC
- 3-ethyl-2-[3-(3-ethyl-4-phenyl-1,3-thiazol-3-ium-2-yl)prop-2-enylidene]-4-phenyl-1,3-thiazole iodide
Names & synonyms
54290-14-1DTXSID009693453-Ethyl-2-[3-(3-ethyl-4-phenyl-1,3-thiazol-2(3H)-ylidene)prop-1-en-1-yl]-4-phenyl-1,3-thiazol-3-ium iodide
Database identifiers
- CAS
54290-14-1- PubChem CID
- 148671
- DTXSID
DTXSID00969345
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…