Dithiobis(ethyleneiminomethylidyne)bis(3-methyl-1-phenyl-2-pyrazolin-5-one)
Basic information
- CAS
24664-57-1- Standard SMILES
Cc1[nH]n(-c2ccccc2)c(=O)c1C=NCCSSCCN=Cc1c(C)[nH]n(-c2ccccc2)c1=O- InChIKey
ATSUSOHUIVGRAX-UHFFFAOYSA-N- Molecular formula
- C26H28N6O2S2
- Average molar mass
- 520.7 g/mol
- Monoisotopic mass
- 520.1715165
Names & identifiers
- Preferred name
- Dithiobis(ethyleneiminomethylidyne)bis(3-methyl-1-phenyl-2-pyrazolin-5-one)
- IUPAC
- 5-methyl-4-[2-[2-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]ethyldisulfanyl]ethyliminomethyl]-2-phenyl-1H-pyrazol-3-one
- English name
- 4,4'-[Dithiobis(ethylenenitrilomethylidyne)]bis(3-methyl-1-phenyl-2-pyrazolin-5-one)
- Molecular formula
- C26H28N6O2S2
- Molecular weight
- 520.67
Names & synonyms
BRN 0869652Dithiobis(ethyleneiminomethylidyne)bis(3-methyl-1-phenyl-2-pyrazolin-5-one)24664-57-12-Pyrazolin-5-one, dithiobis(ethyleneiminomethylidyne)bis(3-methyl-1-phenyl-4,4'-[Dithiobis(ethylenenitrilomethylidyne)]bis(3-methyl-1-phenyl-2-pyrazolin-5-one)2-Pyrazolin-5-one, 4,4'-[dithiobis(ethyleneiminomethylidyne)]bis[3-methyl-1-phenyl- (8CI)
Database identifiers
- CAS
24664-57-1- PubChem CID
- 212692
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 845
Physicochemical properties
- Boiling point
- 645.6 · 645.6±65.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 7.97 · 7.97±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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