CID 5599451
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Basic information
- CAS
1351581-39-9- Standard SMILES
CC(=O)c1ccc(N/N=C2/Sc3ccccc3C2=O)cc1- InChIKey
JSDARVVHMOKMIE-FBMGVBCBSA-N- Molecular formula
- C16H12N2O2S
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.0619488
Names & identifiers
- Preferred name
- CID 5599451
- IUPAC
- (2E)-2-[(4-acetylphenyl)hydrazinylidene]-1-benzothiophen-3-one
- English name
- 1-benzothiophene-2,3-dione 2-[(4-acetylphenyl)hydrazone]
- Molecular formula
- C16H12N2O2S
- Molecular weight
- 296.35
Names & synonyms
1-benzothiophene-2,3-dione 2-[(4-acetylphenyl)hydrazone]
Database identifiers
- CAS
1351581-39-9- PubChem CID
- 5599451
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 455
Physicochemical properties
- Boiling point
- 506.119 · 506.119±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.333 · 1.333±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.381 · 11.381±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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