Basic information
- CAS
297146-99-7- Standard SMILES
COCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S- InChIKey
LSXOCSYEWIBQRQ-DHZHZOJOSA-N- Molecular formula
- C13H12ClNO2S2
- Average molar mass
- 313.8 g/mol
- Monoisotopic mass
- 312.9997987
Names & identifiers
- Preferred name
- 5-(4-Chloro-benzylidene)-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one
- IUPAC
- (5E)-5-[(4-chlorophenyl)methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
5-(4-Chloro-benzylidene)-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one
Database identifiers
- CAS
297146-99-7- PubChem CID
- 2133151
- EC Number
- 164-745-4
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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