Basic information
- CAS
29947-17-9- Standard SMILES
O=Cc1ccc(/C=C2\SC(=S)NC2=O)cc1- InChIKey
QSCTZTIMXSIZQE-UITAMQMPSA-N- Molecular formula
- C11H7NO2S2
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 248.99182081
Names & identifiers
- Preferred name
- 4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
- IUPAC
- 4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
Names & synonyms
NSC8071029947-17-94-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehydeSCHEMBL12961168DTXSID90422055NSC-80710AKOS001376590
Database identifiers
- CAS
29947-17-9- PubChem CID
- 6139848
- DTXSID
DTXSID90422055
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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