- InChI
- InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
- InChI Key
- PDQAZBWRQCGBEV-UHFFFAOYSA-N
- Formula
- C3H6N2S
- SMILES
- S=C1NCCN1
- Molecular Weight1
- 102.16
- CAS
- 96-45-7
- Other Names
-
- 1,3-Ethylene-2-thiourea
- 1,3-Ethylenethiourea
- 2-Imidazoline-2-thiol
- 2-Imidozolidimethione
- 2-Mercapto-2-imidazoline
- 2-Mercaptoimidazoline
- 2-Thioimidazolidine
- 2-Thiol-dihydroglyoxaline
- 2-Thionoimidazolidine
- 2H-Imidazole-2-thione, tetrahydro-
- 4,5-Dihydro-2-mercaptoimidazole
- 4,5-Dihydroimidazole-2(3H)-thione
- Akrochem ETU-22
- Akroform ETU-22 PM
- ETU
- Imidazolidinethione
- Imidazoline-2(3H)-Thione
- Mercaptoimidazoline
- Mercazin I
- Mercozen
- N,N'-Ethylenethiourea
- NA 22
- NA-22-D
- Nocceler 22
- Pennac CRA
- Perkacit ETU
- Rhenogran ETU
- Rhodanin S 62
- Robac 22
- Sanceller 22
- Sodium-22 neoprene accelerator
- Soxinol 22
- Tetrahydro-2H-imidazole-2-thione
- Thiourea, N,N'-(1,2-ethanediyl)-
- Vulkacit NPV/C
- Vulkacit NPV/C2
- Warecure C
- ethylenethiourea
- imidazolidine-2-thione
- imidazoline-2-thiol
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 921.90 | kJ/mol | NIST |
| BasG | 891.20 | kJ/mol | NIST |
| ΔfusH° | 21.60 | kJ/mol | Joback Calculated Property |
| IE | [8.15; 8.15] | eV |
|
| IE | 8.15 | eV | NIST |
| IE | 8.15 | eV | NIST |
| IE | 8.15 ± 0.03 | eV | NIST |
| log10WS | -0.71 | Aq. Solubility Prediction | |
| logPoct/wat | -0.536 | Crippen Calculated Property | |
| McVol | 74.280 | ml/mol | McGowan Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 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 |
|---|---|---|---|---|
| Cp,gas | [128.26; 171.53] | J/mol×K | [457.93; 706.18] |
|
| Cp,gas | 128.26 | J/mol×K | 457.93 | Joback Calculated Property |
| Cp,gas | 136.79 | J/mol×K | 499.31 | Joback Calculated Property |
| Cp,gas | 144.75 | J/mol×K | 540.68 | Joback Calculated Property |
| Cp,gas | 152.16 | J/mol×K | 582.06 | Joback Calculated Property |
| Cp,gas | 159.07 | J/mol×K | 623.43 | Joback Calculated Property |
| Cp,gas | 165.52 | J/mol×K | 664.81 | Joback Calculated Property |
| Cp,gas | 171.53 | J/mol×K | 706.18 | Joback Calculated Property |
| ΔvapH | 107.40 | kJ/mol | 298.15 | Comprehensive Thermochemical Study of Cyclic Five- and Six-Membered N,N'-Thioureas |
Similar Compounds
Find more compounds similar to 2-Imidazolidinethione.
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
- Comprehensive Thermochemical Study of Cyclic Five- and Six-Membered N,N'-Thioureas
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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