Basic information
- CAS
92248-35-6- Standard SMILES
CCCCN1C(=O)/C(=C\c2ccccc2O)SC1=S- InChIKey
DGUWFVJPJASMDN-FMIVXFBMSA-N- Molecular formula
- C14H15NO2S2
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.05442107
Names & identifiers
- Preferred name
- 3-Butyl-5-(2-hydroxy-benzylidene)-2-thioxo-thiazolidin-4-one
- IUPAC
- (5E)-3-butyl-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
STK396561AKOS000350600(5E)-3-butyl-5-(2-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one3-BUTYL-5-(2-HYDROXY-BENZYLIDENE)-2-THIOXO-THIAZOLIDIN-4-ONE
Database identifiers
- CAS
92248-35-6- PubChem CID
- 5777738
- EC Number
- 159-313-7
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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