5-Benzylidene-3-(2-bromobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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Basic information
- CAS
507463-67-4- Standard SMILES
O=C1C(=Cc2ccccc2)SC(=S)N1C(=O)c1ccccc1Br- InChIKey
LNTCTZNIGBPGRU-UHFFFAOYSA-N- Molecular formula
- C17H10BrNO2S2
- Average molar mass
- 404.3 g/mol
- Monoisotopic mass
- 402.93363
Names & identifiers
- Preferred name
- 5-Benzylidene-3-(2-bromobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- 5-benzylidene-3-(2-bromobenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 5-benzylidene-3-(2-bromobenzoyl)-2-thioxo-1,3-thiazolidin-4-one
- Molecular formula
- C17H10BrNO2S2
- Molecular weight
- 404.3
Names & synonyms
5-benzylidene-3-(2-bromobenzoyl)-2-thioxo-1,3-thiazolidin-4-one4-Thiazolidinone, 3-(2-bromobenzoyl)-5-(phenylmethylene)-2-thioxo-
Database identifiers
- CAS
507463-67-4- PubChem CID
- 3704471
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 543
Physicochemical properties
- Boiling point
- 533.7 · 533.7±60.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- pka
- -4.21 · -4.21±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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