- InChI
- InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
- InChI Key
- KIWUVOGUEXMXSV-UHFFFAOYSA-N
- Formula
- C3H3NOS2
- SMILES
- OC1=NC(=S)SC1
- Molecular Weight1
- 133.19
- CAS
- 141-84-4
- Other Names
-
- 2,4-Thiazolidinedione, 2-thio-
- 2-Thio-4-ketothiazolidine
- 2-Thioxo-4-thiazolidinone
- 4-Oxo-2-thionothiazolidine
- 4-Oxo-2-thiothiazolidin
- 4-Oxo-2-thioxothiazoline
- 4-Thiazolidinone, 2-thioxo-
- 4-Thiazolidinone-2-thione
- NSC 1899
- Rhodanic acid
- Rhodanin
- Rhodaninic acid
- Rodanin
- USAF HA-2
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.4668 | Relay (1.0) Calculated Property | |
| ΔfG° | 149.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -82.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | [-1.77; -1.77] |
|
|
| log10WS | -1.77 | Aq. Solubility Prediction | |
| log10WS | -1.77 | Estimated Solubility | |
| logPoct/wat | 0.975 | Crippen Calculated Property | |
| McVol | 82.220 | ml/mol | McGowan Calculated Property |
| Pc | 7957.72 | kPa | Joback Calculated Property |
| Tboil | 540.75 | K | Relay (1.0) Calculated Property |
| Tc | 849.86 | K | Relay (1.0) Calculated Property |
| Tfus | 442.65 | K | Aq. Solubility Prediction |
| Vc | 0.267 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.17; 192.39] | J/mol×K | [558.48; 802.36] |
|
| Cp,gas | 162.17 | J/mol×K | 558.48 | Joback Calculated Property |
| Cp,gas | 168.35 | J/mol×K | 599.13 | Joback Calculated Property |
| Cp,gas | 174.03 | J/mol×K | 639.77 | Joback Calculated Property |
| Cp,gas | 179.24 | J/mol×K | 680.42 | Joback Calculated Property |
| Cp,gas | 184.01 | J/mol×K | 721.06 | Joback Calculated Property |
| Cp,gas | 188.38 | J/mol×K | 761.71 | Joback Calculated Property |
| Cp,gas | 192.39 | J/mol×K | 802.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Rhodanine.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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