- InChI
- InChI=1S/C4H5NOS2/c1-5-3(6)2-8-4(5)7/h2H2,1H3
- InChI Key
- JKLZCQWVERBDEZ-UHFFFAOYSA-N
- Formula
- C4H5NOS2
- SMILES
- CN1C(=O)CSC1=S
- Molecular Weight1
- 147.22
- CAS
- 4807-55-0
- Other Names
-
- 4-Thiazolidinone, 3-methyl-2-thioxo-
- Methylrhodanine
- Rhodanine, N-methyl-
- Rhodanine, 3-methyl-
- USAF T-2
- 3-Methylrhodanine
- NSC 14787
- NSC 42903
- NSC 65351
- 3-Methylrhodanide
- 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 | 0.3467 | Relay (1.0) Calculated Property | |
| ΔfG° | -41.24 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -77.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 77.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.476 | Crippen Calculated Property | |
| McVol | 96.310 | ml/mol | McGowan Calculated Property |
| Pc | 4776.75 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 541.25 | K | Relay (1.0) Calculated Property |
| Tc | 800.70 | K | Relay (1.0) Calculated Property |
| Tfus | 413.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.325 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-Methylrhodanine.
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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