Basic information
- CAS
664349-40-0- Standard SMILES
C#CCN1C(=O)SC(=Cc2ccc(I)cc2)C1=O- InChIKey
JIGLBDGDPKXBHA-UHFFFAOYSA-N- Molecular formula
- C13H8INO2S
- Average molar mass
- 369.18 g/mol
- Monoisotopic mass
- 368.93205
Names & identifiers
- Preferred name
- 5-[(4-Iodophenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
- IUPAC
- 5-[(4-iodophenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
- English name
- 5-(4-iodobenzylidene)-3-(2-propynyl)-1,3-thiazolidine-2,4-dione
- Molecular formula
- C13H8INO2S
- Molecular weight
- 369.18
Names & synonyms
(5E)-5-[(4-IODOPHENYL)METHYLIDENE]-3-(PROP-2-YN-1-YL)-1,3-THIAZOLIDINE-2,4-DIONE5-(4-iodobenzylidene)-3-(2-propynyl)-1,3-thiazolidine-2,4-dione
Database identifiers
- CAS
664349-40-0- PubChem CID
- 1208908
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 443
Physicochemical properties
- Boiling point
- 452.222 · 452.222±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.846 · 1.846±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.923 · -2.923±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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