- InChI
- InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2
- InChI Key
- MBGGBVCUIVRRBF-UHFFFAOYSA-N
- Formula
- C23H20N2O3S
- SMILES
-
O=C1C(CCS(=O)c2ccccc2)C(=O)N(c
2ccccc2)N1c1ccccc1 - Molecular Weight1
- 404.48
- CAS
- 57-96-5
- Other Names
-
- 3,5-Pyrazolidinedione, 1,2-diphenyl-4-[2-(phenylsulfinyl)ethyl]-
- Anturan
- Anturane
- Anturanil
- Anturen
- Anturidin
- Diphenylpyrazone
- Enturan
- Enturen
- G 28315
- Sulfinpyrazine
- Sulfinpyrazon
- Sulfoxyphenylpyrazolidine
- Sulphinpyrazone
- USAF GE-13
- 1,2-Diphenyl-4-(2'-phenylsulfinethyl)-3,5-pyrazolidinedione
- 4-(Phenylsulfoxyethyl)-1,2-diphenyl-3,5-pyrazolidinedione
- 1,2-Diphenyl-3,5-dioxo-4-(2'-phenyl-sulfinyl-aethyl)-pyrazolidin
- 1,2-Diphenyl-4-[2-(phenylsulfinyl)ethyl]-3,5-pyrazolidinedione
- Anturano
- NSC 75925
- 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).
- 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 | 0.7524 | Relay (1.0) Calculated Property | |
| ΔfG° | 217.33 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 23.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 150.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.795 | Crippen Calculated Property | |
| McVol | 298.110 | ml/mol | McGowan Calculated Property |
| Pc | 1707.34 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 764.76 | K | Relay (1.0) Calculated Property |
| Tc | 1149.99 | K | Relay (1.0) Calculated Property |
| Tfus | 467.17 | K | Relay (1.0) Calculated Property |
| Vc | 1.046 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Sulfinpyrazone.
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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