Basic information
- CAS
429641-37-2- Standard SMILES
C#CCOc1ccc(C=C2SC(=O)N(CC)C2=O)cc1OC- InChIKey
JBKJPRREAHKDFY-UHFFFAOYSA-N- Molecular formula
- C16H15NO4S
- Average molar mass
- 317.4 g/mol
Names & identifiers
- Preferred name
- 3-Ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
- IUPAC
- 3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
- English name
- 3-ethyl-5-[3-methoxy-4-(2-propynyloxy)benzylidene]-1,3-thiazolidine-2,4-dione
- Molecular formula
- C16H15NO4S
- Molecular weight
- 317.36
Names & synonyms
3-ethyl-5-[3-methoxy-4-(2-propynyloxy)benzylidene]-1,3-thiazolidine-2,4-dione2,4-Thiazolidinedione, 3-ethyl-5-[[3-methoxy-4-(2-propyn-1-yloxy)phenyl]methylene]-
Database identifiers
- CAS
429641-37-2
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 521
Physicochemical properties
- Boiling point
- 478.4 · 478.4±55.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- pka
- -2.5 · -2.50±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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