- InChI
- InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
- InChI Key
- OXFSTTJBVAAALW-UHFFFAOYSA-N
- Formula
- C3H4N2S
- SMILES
- S=c1[nH]cc[nH]1
- Molecular Weight1
- 100.15
- Other Names
-
- 1,3-dihydro-2H-imidazole-2-thione
- 1,3-dihydroimidazole-2-thione
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- ρs : Solid Density (kg/m3).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 17.48 | kJ/mol | Structu... |
| log10WS | -0.76 | Crippen Calculated Property | |
| logPoct/wat | 0.108 | Crippen Calculated Property | |
| McVol | 69.980 | ml/mol | McGowan Calculated Property |
| Ttriple | 503.50 | K | Structu... |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | [112.00; 116.50] | J/mol×K | [298.15; 333.15] | 
|
| Cp,solid | 112.00 | J/mol×K | 298.15 | Structu... |
| Cp,solid | 112.40 | J/mol×K | 303.15 | Structu... |
| Cp,solid | 112.90 | J/mol×K | 308.15 | Structu... |
| Cp,solid | 112.60 | J/mol×K | 313.15 | Structu... |
| Cp,solid | 113.40 | J/mol×K | 318.15 | Structu... |
| Cp,solid | 114.30 | J/mol×K | 323.15 | Structu... |
| Cp,solid | 115.30 | J/mol×K | 328.15 | Structu... |
| Cp,solid | 116.50 | J/mol×K | 333.15 | Structu... |
| ΔvapH | 114.40 | kJ/mol | 298.15 | Structu... |
| ρs | 1424.10 | kg/m3 | 296.00 | Structu... |
Similar Compounds
Find more compounds similar to 2-mercaptoimidazole.
Sources
- Crippen Method
- Crippen Method
- Structural and energetic characterization of anhydrous and hemihydrated 2-mercaptoimidazole: Calorimetric, X-ray diffraction, and computational studies
- McGowan Method
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