4-Thiazolidinone, 5-acetyl-2-(dibutylamino)-3-phenyl-, meso-ionic didehydro deriv.

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Basic information

CAS: 29868-86-8
Standard SMILES: CCCCN(CCCC)c1sc(C(C)=O)c([O-])[n+]1-c1ccccc1
InChIKey: KIZAJJYMTVCTHS-UHFFFAOYSA-N
Molecular formula: C19H26N2O2S
Average molar mass: 346.5 g/mol
Monoisotopic mass: 346.17149925

Names & identifiers

Preferred name: 4-Thiazolidinone, 5-acetyl-2-(dibutylamino)-3-phenyl-, meso-ionic didehydro deriv.
IUPAC: 5-acetyl-2-(dibutylamino)-3-phenyl-1,3-thiazol-3-ium-4-olate

Names & synonyms

4-Thiazolidinone, 5-acetyl-2-(dibutylamino)-3-phenyl-, meso-ionic didehydro deriv.29868-86-8DTXSID401839825-Acetyl-2-(dibutylamino)-3-phenyl-4-thiazolidinone meso-ionic didehydro deriv.Thiazolium, 5-acetyl-2-(dibutylamino)-4-hydroxy-3-phenyl-, hydroxide, inner saltRefChem:296624DTXCID80106473Thiazolium, 5-acetyl-2-(dibutylamino)-4-hydroxy-3-phenyl-, hydroxide, inner salt (8CI)(1E)-1-[2-(Dibutyliminio)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]ethan-1-olate

Database identifiers

CAS: 29868-86-8
PubChem CID: 207399
DTXSID: DTXSID40183982

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 75.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 24
Formal charge: 0
Complexity: 380

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Compound notes

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