Basic information
- CAS
100727-39-7- Standard SMILES
CCN1C(=O)C(=Cc2ccc(C=O)cc2)SC1=S- InChIKey
YBNKADUMLCYNBY-UHFFFAOYSA-N- Molecular formula
- C13H11NO2S2
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.02312094
Names & identifiers
- Preferred name
- 4-[(3-Ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
- IUPAC
- 4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
- English name
- 4-[(3-Ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
- Molecular formula
- C13H11NO2S2
- Molecular weight
- 0
Names & synonyms
4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde100727-39-7DTXSID402921894-[(3-Ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
Database identifiers
- CAS
100727-39-7- PubChem CID
- 255307
- DTXSID
DTXSID40292189
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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