- InChI
- InChI=1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
- InChI Key
- VLCDUOXHFNUCKK-UHFFFAOYSA-N
- Formula
- C3H8N2S
- SMILES
- CNC(=S)NC
- Molecular Weight1
- 104.18
- Other Names
-
- (CH3NH)2CS
- 1,3-Dimethyl-2-thiourea
- 1,3-dimethylthiourea
- Dimethylthiocarbamide
- N,N'-dimethylthiourea
- Urea, 1,3-dimethyl-2-thio-
- sym-Dimethylthiourea
- thiourea, 1,3-dimethyl-
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| PAff | 926.00 | kJ/mol | NIST |
| BasG | 895.10 | kJ/mol | NIST |
| ΔfusH° | 18.33 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [107.30; 112.00] | kJ/mol |
|
| ΔsubH° | 112.00 ± 3.00 | kJ/mol | NIST |
| ΔsubH° | 107.30 ± 4.00 | kJ/mol | NIST |
| IE | [8.08; 8.17] | eV |
|
| IE | 8.17 ± 0.05 | eV | NIST |
| IE | 8.08 ± 0.03 | eV | NIST |
| logPoct/wat | -0.290 | Crippen Calculated Property | |
| McVol | 85.140 | ml/mol | McGowan Calculated Property |
| Tfus | 337.00 ± 0.10 | K | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 | [12.70; 13.71] | kJ/mol | [336.90; 337.00] |
|
| ΔfusH | 12.70 | kJ/mol | 336.90 | NIST |
| ΔfusH | 13.71 | kJ/mol | 337.00 | NIST |
| ΔsubH | 108.00 ± 3.00 | kJ/mol | 361.00 | NIST |
| ΔvapH | 93.00 ± 4.00 | kJ/mol | 358.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [109.63; 242.78] | 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 | -9.85000e+00 | |||
| Coefficient B | 5.48630e-01 | |||
| Coefficient C | -4.48000e-04 | |||
| Coefficient D | 1.52000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 109.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 134.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 156.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 174.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 190.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 203.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 214.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 224.80 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 233.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 242.78 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiourea, N,N'-dimethyl-.
Mixtures
Sources
- 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
- Temperature-dependent behavior of enthalpies and heat capacities of solution in water for thiourea and its N,N'-dimethylsubstituted derivative
- Hydration of Thiourea and Mono-, Di-, and Tetra-N-Alkylthioureas at Infinite Dilution: A Thermodynamic Study at a Temperature of 298.15 K
- Apparent Molar Volumes and Expansibilities of Thiourea, 1,3-Dimethylurea, and 1,3-Dimethylthiourea in Water at Temperatures from T = (278.15 to 318.15) K and Atmospheric Pressure
- Joback Method
- McGowan Method
- NIST Webbook
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