Basic information
- CAS
312280-19-6- Standard SMILES
Cc1ccc(N2C(=O)C(=Cc3cc(Br)ccc3O)C(=O)NC2=S)cc1C- InChIKey
ZTYWHIBEBXJZFY-UHFFFAOYSA-N- Molecular formula
- C19H15BrN2O3S
- Average molar mass
- 431.3 g/mol
Names & identifiers
- Preferred name
- 5-[(5-Bromo-2-hydroxyphenyl)methylidene]-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
- IUPAC
- 5-[(5-bromo-2-hydroxyphenyl)methylidene]-1-(3,4-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
- English name
- 5-(5-bromo-2-hydroxybenzylidene)-1-(3,4-dimethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
- Molecular formula
- C19H15BrN2O3S
- Molecular weight
- 431.3
Names & synonyms
ChemDiv1_0115055-(5-bromo-2-hydroxybenzylidene)-1-(3,4-dimethylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Database identifiers
- CAS
312280-19-6
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 638
Physicochemical properties
- Density
- 1.653 · 1.653±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.95 · 7.950±0.48(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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