- InChI
- InChI=1S/C10H8N2OS2/c11-12-9(13)8(15-10(12)14)6-7-4-2-1-3-5-7/h1-6H,11H2/b8-6+
- InChI Key
- RADJDINPADSTBJ-SOFGYWHQSA-N
- Formula
- C10H8N2OS2
- SMILES
- NN1C(=O)C(=Cc2ccccc2)SC1=S
- Molecular Weight1
- 236.31
- CAS
- 4992-29-4
- 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 | 0.4572 | Relay (1.0) Calculated Property | |
| ΔfG° | 166.95 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 207.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 97.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.762 | Crippen Calculated Property | |
| McVol | 162.770 | ml/mol | McGowan Calculated Property |
| Pc | 3510.47 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 637.55 | K | Relay (1.0) Calculated Property |
| Tc | 930.59 | K | Relay (1.0) Calculated Property |
| Tfus | 430.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.541 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Rhodanine, 3-amino-5-benzylidene-.
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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