3-(4-Bromophenyl)-5-butyl-2-thioxo-4-thiazolidinone
Basic information
- CAS
23554-93-0- Standard SMILES
CCCCC1SC(=S)N(c2ccc(Br)cc2)C1=O- InChIKey
DDHDUSQYKKLIJV-UHFFFAOYSA-N- Molecular formula
- C13H14BrNOS2
- Average molar mass
- 344.3 g/mol
- Monoisotopic mass
- 342.97002
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-5-butyl-2-thioxo-4-thiazolidinone
- IUPAC
- 3-(4-bromophenyl)-5-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
23554-93-0RefChem:10667923-(4-Bromophenyl)-5-butyl-2-thioxo-4-thiazolidinone3-(p-Bromophenyl)-5-butylrhodanineBRN 0802984Rhodanine, 3-(p-bromophenyl)-5-butyl-DTXSID009463183-(4-bromophenyl)-5-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
Database identifiers
- CAS
23554-93-0- PubChem CID
- 211740
- DTXSID
DTXSID00946318
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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