Basic information
- CAS
123135-28-4- Standard SMILES
CCOC1=CC(=CC=CC=C2C=CC(=[N+](C)C)C=C2)Sc2ccccc21- InChIKey
MTZGBMVYCLWLSB-UHFFFAOYSA-N- Molecular formula
- C23H24NOS+
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.15786056
Names & identifiers
- Preferred name
- [4-[4-(4-Ethoxythiochromen-2-ylidene)but-2-enylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
- IUPAC
- [4-[4-(4-ethoxythiochromen-2-ylidene)but-2-enylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Database identifiers
- CAS
123135-28-4- PubChem CID
- 498552
- DTXSID
DTXSID701138130
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 37.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 711
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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