- 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
- Sc1ncc[nH]1
- Molecular Weight1
- 100.14
- CAS
- 872-35-5
- Other Names
-
- Imidazole-2-thiol
- 1,3-Vinylenethiourea
- 1H-Imidazole-2-thiol
- 2-Mercaptoimidazole
- 2-Thioxo-2,3-dihydroimidazole
- 4-Imidazoline-2-thione
- Imidazole, 2-mercapto-
- USAF EL-57
- 1,3-Dihydro-2H-imidazole-2-thione
- 2-Mercapto-1H-imidazole
- NSC 112715
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (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 | 0.3351 | Relay (1.0) Calculated Property | |
| ΔfG° | 193.25 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 147.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 74.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.217 | Crippen Calculated Property | |
| McVol | 69.980 | ml/mol | McGowan Calculated Property |
| Pc | 6707.29 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 540.70 | K | Relay (1.0) Calculated Property |
| Tc | 771.53 | K | Relay (1.0) Calculated Property |
| Tfus | 481.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.233 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Imidazole-2-thione, 1,3-dihydro-.
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
- McGowan Method
- NIST Webbook
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