Basic information
- CAS
334496-43-4- Standard SMILES
CCCN1C(=O)/C(=C2/C=Cc3ccccc3N2CC)SC1=S- InChIKey
HTUJYEJCFSALEG-CCEZHUSRSA-N- Molecular formula
- C17H18N2OS2
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.08605555
Names & identifiers
- Preferred name
- (5E)-5-(1-ethyl-2(1H)-quinolinylidene)-3-propyl-2-thioxo-1,3-thiazolidin-4-one
- IUPAC
- (5E)-5-(1-ethylquinolin-2-ylidene)-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 5-(1-Ethyl-2(1H)-quinolinylidene)-3-propyl-2-thioxo-1,3-thiazolidin-4-one
- Molecular formula
- C17H18N2OS2
- Molecular weight
- 330.47
Names & synonyms
MLS000717884SMR000279452CHEMBL1588368HMS2692C15STK376942AKOS000732819ST50904132AG-690/12870126SR-01000726801SR-01000726801-25-(1-ethyl(2-hydroquinolylidene))-3-propyl-2-thioxo-1,3-thiazolidin-4-one(5E)-5-(1-ethyl-2(1H)-quinolinylidene)-3-propyl-2-thioxo-1,3-thiazolidin-4-one
Show more names
4-Thiazolidinone, 5-(1-ethyl-2(1H)-quinolinylidene)-3-propyl-2-thioxo-
(5E)-5-(1-ethylquinolin-2(1H)-ylidene)-3-propyl-2-thioxo-1,3-thiazolidin-4-one5-(1-ethyl-2(1H)-quinolinylidene)-3-propyl-2-thioxo-1,3-thiazolidin-4-one
Database identifiers
- CAS
334496-43-4- PubChem CID
- 3124665
- ChEMBL
CHEMBL1588368- EC Number
- 126-067-7
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 541
Experimental & physicochemical properties
Solubility<0.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 424.523 · 424.523±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.334 · 1.334±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.033 · -2.033±0.20(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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