Basic information
- CAS
6617-93-2- Standard SMILES
C=CCN1C(=O)/C(=C\c2ccccc2OCCCOc2ccc(Cl)cc2)SC1=S- InChIKey
FPKPCJGNHOORCE-HMMYKYKNSA-N- Molecular formula
- C22H20ClNO3S2
- Average molar mass
- 446 g/mol
- Monoisotopic mass
- 445.0573135
Names & identifiers
- Preferred name
- (5E)-5-[[2-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- (5E)-5-[[2-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
6617-93-2(5E)-5-[[2-[3-(4-chlorophenoxy)propoxy]phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one3-allyl-5-{2-[3-(4-chlorophenoxy)propoxy]benzylidene}-2-thioxo-1,3-thiazolidin-4-oneAC1NRZ6JDTXSID40417673(5E)-5-({2-[3-(4-CHLOROPHENOXY)PROPOXY]PHENYL}METHYLIDENE)-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
Database identifiers
- CAS
6617-93-2- PubChem CID
- 5350776
- DTXSID
DTXSID40417673
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 619
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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