4-(2-Methylsulfanylethyl)-1,2-diphenylpyrazolidine-3,5-dione
Basic information
- CAS
10561-02-1- Standard SMILES
CSCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O- InChIKey
KRIKNPNYONBUKG-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2S
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.10889899
Names & identifiers
- Preferred name
- 4-(2-Methylsulfanylethyl)-1,2-diphenylpyrazolidine-3,5-dione
- IUPAC
- 4-(2-methylsulfanylethyl)-1,2-diphenylpyrazolidine-3,5-dione
- English name
- 4-[2-(Methylsulfanyl)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione
- Molecular formula
- C18H18N2O2S
- Molecular weight
- 326.41
Names & synonyms
10561-02-1NSC479634-[2-(Methylsulfanyl)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione4-(2-methylsulfanylethyl)-1,2-diphenylpyrazolidine-3,5-dioneKRIKNPNYONBUKG-UHFFFAOYSA-N4-[2-(methylsulfanyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dioneSCHEMBL21694462DTXSID80286845NSC-47963Pyrazolin-3,5-dione, 1,2-diphenyl-4-methylthioethyl-Pyrazolidine-3,5-dione, 1,2-diphenyl-4-methylthioethyl-4-[2-(Methylsulfanyl)ethyl]-1,2-diphenyl-3,5-pyrazolidinedione #
Show more names
3,5-Pyrazolidinedione, 4-[2-(methylthio)ethyl]-1,2-diphenyl-
Database identifiers
- CAS
10561-02-1- PubChem CID
- 240972
- DTXSID
DTXSID80286845
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Melting point
- 120 · 120-121 °C
- Boiling point
- 460.9 · 460.9±37.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- pka
- 3.47 · 3.47±0.10(Predicted)
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Related reactions
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Compound notes
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