5-[2-(1-Ethylbenzo[e][1,3]benzothiazol-2-ylidene)ethylidene]-3-heptyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
Basic information
- CAS
15664-19-4- Standard SMILES
CCCCCCCN1C(=O)C(=CC=C2Sc3ccc4ccccc4c3N2CC)N(c2ccccc2)C1=S- InChIKey
GYTYGDPOBZAIAI-UHFFFAOYSA-N- Molecular formula
- C31H33N3OS2
- Average molar mass
- 527.7 g/mol
- Monoisotopic mass
- 527.20650503
Names & identifiers
- Preferred name
- 5-[2-(1-Ethylbenzo[e][1,3]benzothiazol-2-ylidene)ethylidene]-3-heptyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
- IUPAC
- 5-[2-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)ethylidene]-3-heptyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
- English name
- 5-[(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)ethylidene]-3-heptyl-1-phenyl-2-thioxoimidazolidin-4-one
- Molecular formula
- C31H33N3OS2
- Molecular weight
- 527.74
Names & synonyms
15664-19-45-[2-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)ethylidene]-3-heptyl-1-phenyl-2-sulfanylideneimidazolidin-4-one5-((1-Ethylnaphtho(1,2-d)thiazol-2(1H)-ylidene)ethylidene)-3-heptyl-1-phenyl-2-thioxoimidazolidin-4-oneEINECS 239-736-4DTXSID70935491GYTYGDPOBZAIAI-UHFFFAOYSA-NNS000516125-[2-(1-Ethylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)ethylidene]-3-heptyl-1-phenyl-2-sulfanylideneimidazolidin-4-one5-[(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)ethylidene]-3-heptyl-1-phenyl-2-thioxoimidazolidin-4-one5-[(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)ethylidene]-3-heptyl-1-phenyl-2-thioxoimidazolidin-4-one5-[2-(1-Ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)ethylidene]-3-heptyl-1-phenyl-2-thioxo-4-imidazolidinone5-(2-(1-Ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)ethylidene)-3-heptyl-1-phenyl-2-thioxoimidazolidin-4-one
Show more names
4-Imidazolidinone, 5-[2-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)ethylidene]-3-heptyl-1-phenyl-2-thioxo-
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 880
Physicochemical properties
- Boiling point
- 600.6 · 600.6±65.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- -1.83 · -1.83±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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