- 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
- CAS
- 598-52-7
- Other Names
-
- Methylthiocarbamide
- Urea, 1-methyl-2-thio-
- Methylthiourea
- N-Methylthiocarbamide
- N-Methylthiourea
- 1-Methyl-2-thiourea
- 1-Methylthiocarbamide
- 1-Methylthiourea
- Monomethylthiourea
- NSC 30213
- Pseudourea, 1-methyl-2-thio-
- methyl-2-thiourea
- 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).
- 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).
- 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 | 0.4812 | Relay (1.0) Calculated Property | |
| ΔfG° | 238.86 | kJ/mol | Joback Calculated Property |
| 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 |
| ΔvapH° | 71.45 | kJ/mol | Relay (1.0) Calculated Property |
| 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 |
| Pc | 6420.53 | kPa | Joback Calculated Property |
| Tboil | 485.28 | K | Relay (1.0) Calculated Property |
| Tc | 730.08 | K | Relay (1.0) Calculated Property |
| Tfus | 361.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.242 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [128.46; 159.89] | J/mol×K | [437.90; 659.56] | 
|
| Cp,gas | 128.46 | J/mol×K | 437.90 | Joback Calculated Property |
| Cp,gas | 134.84 | J/mol×K | 474.84 | Joback Calculated Property |
| Cp,gas | 140.71 | J/mol×K | 511.79 | Joback Calculated Property |
| Cp,gas | 146.10 | J/mol×K | 548.73 | Joback Calculated Property |
| Cp,gas | 151.07 | J/mol×K | 585.67 | Joback Calculated Property |
| Cp,gas | 155.65 | J/mol×K | 622.62 | Joback Calculated Property |
| Cp,gas | 159.89 | J/mol×K | 659.56 | Joback Calculated Property |
| ΔfusH | 19.46 | kJ/mol | 392.40 | NIST |
| ΔsubH | 111.00 ± 3.00 | kJ/mol | 381.00 | NIST |
Similar Compounds
Find more compounds similar to Thiourea, methyl-.
Sources
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