- InChI
- InChI=1S/C2H6N2S/c1-4-2(3)5/h1H3,(H3,3,4,5)
- InChI Key
- KQJQICVXLJTWQD-UHFFFAOYSA-N
- Formula
- C2H6N2S
- SMILES
- CNC(N)=S
- Molecular Weight1
- 90.15
- Other Names
-
- 1-Methyl-2-thiourea
- 1-Methylthiocarbamide
- 1-Methylthiourea
- Methylthiocarbamide
- Methylthiourea
- Monomethylthiourea
- N-Methylthiocarbamide
- N-Methylthiourea
- NSC 30213
- Pseudourea, 1-methyl-2-thio-
- Urea, 1-methyl-2-thio-
- methyl-2-thiourea
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -2.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.83 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 113.00 ± 3.00 | kJ/mol | NIST |
| IE | 8.29 ± 0.05 | eV | NIST |
| log10WS | -0.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.551 | Crippen Calculated Property | |
| McVol | 71.050 | ml/mol | McGowan Calculated Property |
| Tfus | 351.38 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 19.46 | kJ/mol | 392.40 | NIST |
| ΔsubH | 111.00 ± 3.00 | kJ/mol | 381.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [92.61; 190.27] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.24000e+00 | |||
| Coefficient B | 4.39310e-01 | |||
| Coefficient C | -3.88400e-04 | |||
| Coefficient D | 1.40600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 92.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 111.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 127.86 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 141.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 152.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 161.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 169.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 176.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 183.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 190.27 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiourea, methyl-.
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
- Hydration of Thiourea and Mono-, Di-, and Tetra-N-Alkylthioureas at Infinite Dilution: A Thermodynamic Study at a Temperature of 298.15 K
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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