5-[(5-Bromo-2-hydroxyphenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Basic information
- CAS
313470-10-9- Standard SMILES
CCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S- InChIKey
MDYCAIXXSWVPDV-UHFFFAOYSA-N- Molecular formula
- C12H10BrNO2S2
- Average molar mass
- 344.3 g/mol
- Monoisotopic mass
- 342.93363
Names & identifiers
- Preferred name
- 5-[(5-Bromo-2-hydroxyphenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- 5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- CHEMBRDG-BB 5583941
- Molecular formula
- C12H10BrNO2S2
- Molecular weight
- 344.25
Names & synonyms
313470-10-95-[(5-bromo-2-hydroxyphenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one(5E)-5-(5-BROMO-2-HYDROXYBENZYLIDENE)-3-ETHYL-2-THIOXO-1,3-THIAZOLIDIN-4-ONESCHEMBL13726902DTXSID10361957AKOS0302538895-[(5-bromo-2-hydroxy-phenyl)methylene]-3-ethyl-2-thioxo-thiazolidin-4-oneCHEMBRDG-BB 5583941(E)-5-(5-bromo-2-hydroxybenzylidene)-3-ethyl-2-thioxothiazolidin-4-one4-Thiazolidinone, 5-[(5-bromo-2-hydroxyphenyl)methylene]-3-ethyl-2-thioxo-(5Z)-5-(5-bromo-2-hydroxybenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one(5E)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Show more names
(5E)-5-(5-bromo-2-hydroxybenzylidene)-3-ethyl-2-thioxo-1,3-thiazolidin-4-one(SALTDATA: FREE)
Database identifiers
- CAS
313470-10-9- PubChem CID
- 1350720
- DTXSID
DTXSID10361957
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Boiling point
- 464.012 · 464.012±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.758 · 1.758±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.761 · 7.761±0.48(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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