- InChI
- InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
- InChI Key
- UMGDCJDMYOKAJW-UHFFFAOYSA-N
- Formula
- CH4N2S
- SMILES
- NC(N)=S
- Molecular Weight1
- 76.12
- CAS
- 62-56-6
- Other Names
-
- (NH2)2CS
- 2-Thiopseudourea
- 2-Thiourea
- Isothiourea
- NSC 5033
- Pseudothiourea
- Pseudourea, 2-thio-
- Rcra waste number U219
- Sulfourea
- Sulourea
- THU
- Thiocarbamide
- Thiocarbonic acid diamide
- Thiomocovina
- Tsizp 34
- UN 2877
- USAF EK-497
- Urea, 2-thio-
- Urea, thio-
- «beta»-Thiopseudourea
- «beta»-Thiopseudourea
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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).
- 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).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- ΔsubS : Entropy of sublimation at a given temperature (J/mol×K).
- 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 |
|---|---|---|---|
| PAff | 893.70 | kJ/mol | NIST |
| BasG | 863.90 | kJ/mol | NIST |
| ΔcH°solid | [-1488.00; -1474.40] | kJ/mol |
|
| ΔcH°solid | -1478.03 ± 0.45 | kJ/mol | NIST |
| ΔcH°solid | -1474.40 ± 2.10 | kJ/mol | NIST |
| ΔcH°solid | -1488.00 ± 0.80 | kJ/mol | NIST |
| ΔfG° | 207.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 22.90 ± 1.60 | kJ/mol | NIST |
| ΔfH°solid | [-90.00; -89.10] | kJ/mol |
|
| ΔfH°solid | -89.10 ± 0.50 | kJ/mol | NIST |
| ΔfH°solid | -90.00 | kJ/mol | NIST |
| ΔfusH° | 13.34 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [107.60; 112.00] | kJ/mol |
|
| ΔsubH° | 112.00 ± 2.00 | kJ/mol | NIST |
| ΔsubH° | 111.00 ± 3.00 | kJ/mol | NIST |
| ΔsubH° | 107.60 | kJ/mol | NIST |
| ΔsubH° | 112.00 ± 1.50 | kJ/mol | NIST |
| ΔsubH° | 112.00 ± 1.50 | kJ/mol | NIST |
| ΔvapH° | 45.83 | kJ/mol | Joback Calculated Property |
| IE | [7.90; 8.50] | eV |
|
| IE | 8.50 | eV | NIST |
| IE | Outlier 7.90 | eV | NIST |
| IE | 8.50 ± 0.05 | eV | NIST |
| IE | 8.50 | eV | NIST |
| IE | 8.41 ± 0.03 | eV | NIST |
| IE | 8.41 | eV | NIST |
| log10WS | [0.32; 0.32] |
|
|
| log10WS | 0.32 | Aq. Sol... | |
| log10WS | 0.32 | Estimat... | |
| logPoct/wat | -0.811 | Crippen Calculated Property | |
| McVol | 56.960 | ml/mol | McGowan Calculated Property |
| Pc | 8145.55 | kPa | Joback Calculated Property |
| S°solid,1 bar | 115.80 | J/mol×K | NIST |
| Tboil | 437.38 | K | Joback Calculated Property |
| Tc | 674.49 | K | Joback Calculated Property |
| Tfus | [448.05; 453.30] | K |
|
| Tfus | 451.32 | K | Aq. Sol... |
| Tfus | 450.16 | K | Measure... |
| Tfus | 452.20 ± 0.50 | K | NIST |
| Tfus | 448.05 ± 0.20 | K | NIST |
| Tfus | 453.30 ± 0.10 | K | NIST |
| Vc | 0.185 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [99.61; 120.01] | J/mol×K | [437.38; 674.49] |
|
| Cp,gas | 99.61 | J/mol×K | 437.38 | Joback Calculated Property |
| Cp,gas | 103.98 | J/mol×K | 476.90 | Joback Calculated Property |
| Cp,gas | 107.89 | J/mol×K | 516.42 | Joback Calculated Property |
| Cp,gas | 111.40 | J/mol×K | 555.94 | Joback Calculated Property |
| Cp,gas | 114.56 | J/mol×K | 595.45 | Joback Calculated Property |
| Cp,gas | 117.41 | J/mol×K | 634.97 | Joback Calculated Property |
| Cp,gas | 120.01 | J/mol×K | 674.49 | Joback Calculated Property |
| Cp,solid | [96.90; 96.90] | J/mol×K | [298.15; 298.15] |
|
| Cp,solid | 96.90 | J/mol×K | 298.15 | NIST |
| Cp,solid | 96.90 | J/mol×K | 298.15 | NIST |
| ΔfusH | [12.55; 15.64] | kJ/mol | [444.70; 452.20] |
|
| ΔfusH | 15.64 | kJ/mol | 444.70 | NIST |
| ΔfusH | 12.60 | kJ/mol | 452.20 | NIST |
| ΔfusH | 12.60 | kJ/mol | 452.20 | NIST |
| ΔfusH | 12.55 | kJ/mol | 452.20 | NIST |
| ΔsubH | [103.90; 112.00] | kJ/mol | [298.15; 408.00] |
|
| ΔsubH | 112.00 | kJ/mol | 298.15 | NIST |
| ΔsubH | 106.60 | kJ/mol | 381.50 | NIST |
| ΔsubH | 103.90 ± 0.30 | kJ/mol | 387.00 | NIST |
| ΔsubH | 109.00 ± 2.00 | kJ/mol | 408.00 | NIST |
| ρl | 1405.10 | kg/m3 | 298.15 | Measure... |
| ΔsubS | 375.60 | J/mol×K | 298.15 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [9.58; 8207.86] | kPa | [454.15; 854.00] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54303e+01 | |||
| Coefficient B | -5.00458e+03 | |||
| Coefficient C | -7.41600e+01 | |||
| Temperature range, min. | 454.15 | |||
| Temperature range, max. | 854.00 | |||
| Pvap | 9.58 | kPa | 454.15 | Calculated Property |
| Pvap | 38.04 | kPa | 498.58 | Calculated Property |
| Pvap | 116.28 | kPa | 543.01 | Calculated Property |
| Pvap | 292.94 | kPa | 587.43 | Calculated Property |
| Pvap | 636.96 | kPa | 631.86 | Calculated Property |
| Pvap | 1234.98 | kPa | 676.29 | Calculated Property |
| Pvap | 2186.23 | kPa | 720.72 | Calculated Property |
| Pvap | 3596.12 | kPa | 765.14 | Calculated Property |
| Pvap | 5570.03 | kPa | 809.57 | Calculated Property |
| Pvap | 8207.86 | kPa | 854.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Thiourea.
Mixtures
- Ethanol + Thiourea + Methyl Alcohol
- 1-Propanol + Thiourea + Methyl Alcohol
- Thiourea + Methyl Alcohol
- Ethanol + Thiourea
- 1-Propanol + Thiourea
- Thiourea + Triethylene glycol + Water
- Thiourea + Triethylene glycol
- Thiourea + Water
Sources
- Crippen Method
- Measurement and correlation of solubility of thiourea in two solvent mixtures from T = (283.15 to 313.15) K
- Measurement and Correlation of Solubility and Thermodynamic Properties of Vinpocetine in Nine Pure Solvents and (Ethanol + Water) Binary Solvent
- 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
- Measurement and Correlation for Solubility of 2-Bromopropane and Thiourea in Water
- Measurement and Correlation for Solubility of Thiourea in Triglycol + Water at Temperatures from (292.05 to 357.75) K
- Measurement and Correlation of Densities and Viscosities of Thiourea in Triglycol + Water at Temperatures from (302.85 to 341.45) K
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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