Basic information
- CAS
6091-33-4- Standard SMILES
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCc1cccc2ccccc12- InChIKey
IBVAGMXGZJWMAK-NDENLUEZSA-N- Molecular formula
- C23H18INO3S2
- Average molar mass
- 547.4 g/mol
- Monoisotopic mass
- 546.97728
Names & identifiers
- Preferred name
- (5Z)-5-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- (5Z)-5-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Names & synonyms
6091-33-4(5Z)-5-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-oneAC1M4VSQDTXSID703674555-[3-ethoxy-5-iodo-4-(1-naphthylmethoxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one(5Z)-5-({3-Ethoxy-5-iodo-4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Database identifiers
- CAS
6091-33-4- PubChem CID
- 2267985
- DTXSID
DTXSID70367455
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 673
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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