Basic information
- CAS
299953-81-4- Standard SMILES
CCN(CC)c1ccc(N2C(=O)C(=Cc3ccc(Br)cc3)SC2=S)cc1- InChIKey
RKNHSBASHMIAOU-UHFFFAOYSA-N- Molecular formula
- C20H19BrN2OS2
- Average molar mass
- 447.4 g/mol
- Monoisotopic mass
- 446.01222
Names & identifiers
- Preferred name
- 5-[(4-Bromophenyl)methylidene]-3-[4-(diethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- 5-[(4-bromophenyl)methylidene]-3-[4-(diethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 5-(4-bromobenzylidene)-3-[4-(diethylamino)phenyl]-2-thioxo-1,3-thiazolidin-4-one
- Molecular formula
- C20H19BrN2OS2
- Molecular weight
- 447.41
Names & synonyms
5-[(4-bromophenyl)methylidene]-3-[4-(diethylamino)phenyl]-2-sulfanylidene-1,3-thiazolidin-4-one5-(4-bromobenzylidene)-3-[4-(diethylamino)phenyl]-2-thioxo-1,3-thiazolidin-4-one4-Thiazolidinone, 5-[(4-bromophenyl)methylene]-3-[4-(diethylamino)phenyl]-2-thioxo-
Database identifiers
- CAS
299953-81-4- PubChem CID
- 3110971
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 548
Physicochemical properties
- Boiling point
- 571 · 571.0±60.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 6.58 · 6.58±0.44(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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