- InChI
- InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3
- InChI Key
- LMVPQMGRYSRMIW-UHFFFAOYSA-N
- Formula
- C17H17N3OS
- SMILES
-
CSC1=NC(C)(c2ccccc2)C(=O)N1Nc1
ccccc1 - Molecular Weight1
- 311.40
- CAS
- 161326-34-7
- Other Names
-
- 4H-Imidazol-4-one, 3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-, (5S)-
- (S)-3,5-dihydro-5-methyl-2-(methylthio)-5-phenyl-3-(phenylamino)-4H-imidazol-4-one
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5640 | Relay (1.0) Calculated Property | |
| ΔfG° | 336.28 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 221.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 107.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.490 | Crippen Calculated Property | |
| McVol | 235.570 | ml/mol | McGowan Calculated Property |
| Pc | 2639.45 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2499.00; 2499.00] |
|
|
| Inp | 2499.00 | NIST | |
| Inp | 2499.00 | NIST | |
| Tboil | 649.40 | K | Relay (1.0) Calculated Property |
| Tc | 991.61 | K | Relay (1.0) Calculated Property |
| Tfus | 410.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.805 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to FENAMIDONE.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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