Basic information
- CAS
444788-91-4- Standard SMILES
CC(C)N1C(=O)SC(=Cc2ccc(I)cc2)C1=O- InChIKey
OAKVAUDWALWOLO-UHFFFAOYSA-N- Molecular formula
- C13H12INO2S
- Average molar mass
- 373.21 g/mol
- Monoisotopic mass
- 372.96335
Names & identifiers
- Preferred name
- 5-[(4-Iodophenyl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
- IUPAC
- 5-[(4-iodophenyl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
- English name
- 5-(4-iodobenzylidene)-3-isopropyl-1,3-thiazolidine-2,4-dione
- Molecular formula
- C13H12INO2S
- Molecular weight
- 373.21
Names & synonyms
5-(4-iodobenzylidene)-3-isopropyl-1,3-thiazolidine-2,4-dione
Database identifiers
- CAS
444788-91-4- PubChem CID
- 1209903
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 386
Physicochemical properties
- Boiling point
- 436.102 · 436.102±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.742 · 1.742±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.533 · -2.533±0.20(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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