Basic information
- CAS
6947-87-1- Standard SMILES
Cc1ccc(-c2cc(-c3ccccc3)[s+]c3ccc(C)cc23)cc1.[Cl][Fe]([Cl])([Cl])[Cl]- InChIKey
RDWFFAXUVUVSFA-UHFFFAOYSA-J- Molecular formula
- C23H19Cl4FeS+
- Average molar mass
- 525.1 g/mol
- Monoisotopic mass
- 522.931093
Names & identifiers
- Preferred name
- 6-Methyl-4-(4-methylphenyl)-2-phenylthiochromenylium;tetrachloroiron
- IUPAC
- 6-methyl-4-(4-methylphenyl)-2-phenylthiochromenylium;tetrachloroiron
Names & synonyms
NSC558666947-87-1DTXSID60328818NSC-55866
Database identifiers
- CAS
6947-87-1- PubChem CID
- 414166
- DTXSID
DTXSID60328818
Properties
Computed structural properties
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 1
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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