Basic information
- Standard SMILES
C=CCN1C(=O)C(=Cc2ccc(C=O)cc2)SC1=S- InChIKey
YYKZHHPAGZSXRI-UHFFFAOYSA-N- Molecular formula
- C14H11NO2S2
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.02312094
Names & identifiers
- Preferred name
- 4-(3-Allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzaldehyde
- IUPAC
- 4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
Names & synonyms
CBMicro_000021SCHEMBL11249854-((3-Allyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzaldehydeYYKZHHPAGZSXRI-UHFFFAOYSA-N4-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzaldehyde
Database identifiers
- PubChem CID
- 349350
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 437
Related reactions
2 records
Compound notes
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