5-Benzylidene-2,4-thiazolidinedione

HCID 199154

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Basic information

CAS: 3774-99-0
Standard SMILES: O=C1NC(=O)C(=Cc2ccccc2)S1
InChIKey: SGIZECXZFLAGBW-UHFFFAOYSA-N
Molecular formula: C10H7NO2S
Average molar mass: 205.23 g/mol
Monoisotopic mass: 205.01974946

Names & identifiers

Preferred name: 5-Benzylidene-2,4-thiazolidinedione
IUPAC: 5-benzylidene-1,3-thiazolidine-2,4-dione
English name: (5Z)-5-benzylidene-1,3-thiazolidine-2,4-dione
Molecular formula: C10H7NO2S
Molecular weight: 205.23

Names & synonyms

5-benzylidene-2,4-thiazolidinedione3774-99-0RefChem:1072671benzylidene thiazolidinedione5-benzylidene-1,3-thiazolidine-2,4-dione(E)-5-Benzylidenethiazolidine-2,4-dione(Z)-5-Benzylidenethiazolidine-2,4-dione74942-47-55-(phenylmethylidene)-1,3-thiazolidine-2,4-dione5-[(E)-phenylmethylidene]-1,3-thiazolane-2,4-dioneBionet2_001347SCHEMBL211085

Show more names

(5Z)-5-benzylidene-1,3-thiazolidine-2,4-dione2,4-Thiazolidinedione, 5-(phenylmethylene)-, (Z)-2,4-Thiazolidinedione, 5-(phenylmethylene)-, (5Z)-

SCHEMBL1091989SCHEMBL4519632DTXSID20276765SGIZECXZFLAGBW-UHFFFAOYSA-N5-benzyliden-thiazolidin-2,4-dioneAKOS0306532035-(Phenylmethylene)thiazolidine-2,4-dione

Database identifiers

CAS: 3774-99-0、74942-62-4
PubChem CID: 199154
DTXSID: DTXSID20276765

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 71.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 292

Physicochemical properties

Melting point: 248 · 248-250 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
Density: 1.415 · 1.415±0.06 g/cm3(Predicted)
pka: 7.51 · 7.51±0.20(Predicted)