- 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
- Ethylenethiourea
- Imidazolidinethione
- Imidazoline-2(3H)-Thione
- Imidazoline-2-thiol
- 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
- imidazolidine-2-thione
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- ΔvapH° : Enthalpy of vaporization 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).
- 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 | 0.3931 | Relay (1.0) Calculated Property | |
| PAff | 921.90 | kJ/mol | NIST |
| BasG | 891.20 | kJ/mol | NIST |
| ΔfG° | 284.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 81.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.05 | kJ/mol | Relay (1.0) 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 |
| Pc | 7194.03 | kPa | Joback Calculated Property |
| Tboil | 552.09 | K | Relay (1.0) Calculated Property |
| Tc | 782.82 | K | Relay (1.0) Calculated Property |
| Tfus | 428.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.252 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [128.22; 171.49] | J/mol×K | [457.73; 705.87] |
|
| Cp,gas | 128.22 | J/mol×K | 457.73 | Joback Calculated Property |
| Cp,gas | 136.75 | J/mol×K | 499.09 | Joback Calculated Property |
| Cp,gas | 144.70 | J/mol×K | 540.44 | Joback Calculated Property |
| Cp,gas | 152.12 | J/mol×K | 581.80 | Joback Calculated Property |
| Cp,gas | 159.03 | J/mol×K | 623.16 | Joback Calculated Property |
| Cp,gas | 165.47 | J/mol×K | 664.52 | Joback Calculated Property |
| Cp,gas | 171.49 | J/mol×K | 705.87 | 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)
- 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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