2-Imidazolidinethione
- Formula: C3H6N2S
- Molecular weight: 102.158
- IUPAC Standard InChI: InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)
- IUPAC Standard InChIKey: PDQAZBWRQCGBEV-UHFFFAOYSA-N
- CAS Registry Number: 96-45-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Ethylenethiourea; ETU; Imidazolidinethione; Imidazoline-2(3H)-Thione; Imidazoline-2-thiol; Mercaptoimidazoline; N,N'-Ethylenethiourea; NA 22; Pennac CRA; Rhodanin S 62; Thiourea, N,N'-(1,2-ethanediyl)-; Warecure C; 1,3-Ethylenethiourea; 2-Imidazoline-2-thiol; 2-Mercapto-2-imidazoline; 2-Mercaptoimidazoline; 2H-Imidazole-2-thione, tetrahydro-; 4,5-Dihydro-2-mercaptoimidazole; imidazolidine-2-thione; Tetrahydro-2H-imidazole-2-thione; Mercazin I; Rhenogran ETU; Vulkacit NPV/C; Soxinol 22; 2-Thionoimidazolidine; Nocceler 22; 2-Thioimidazolidine; 1,3-Ethylene-2-thiourea; 2-Imidozolidimethione; 2-Thiol-dihydroglyoxaline; 4,5-Dihydroimidazole-2(3H)-thione; Akrochem ETU-22; Akroform ETU-22 PM; Mercozen; NA-22-D; Perkacit ETU; Robac 22; Sanceller 22; Sodium-22 neoprene accelerator; Vulkacit NPV/C2
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Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 8.15 | eV | N/A | N/A | L |
| Quantity | Value | Units | Method | Reference | Comment |
| Proton affinity (review) | 921.9 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 891.2 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.15 | PE | Andreocci, Devillanova, et al., 1980 | LLK |
| 8.15 ± 0.03 | PE | Guimon, Pfister-Guillouzo, et al., 1974 | Vertical value; LLK |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Andreocci, Devillanova, et al., 1980
Andreocci, M.V.; Devillanova, F.A.; Furlani, C.; Mattogno, G.; Verani, G.; Zanoni, R.,
Structural characterization of some substituted azolidine molecules: UPS photoelectron spectroscopic studies,
J. Mol. Struct., 1980, 69, 151. [all data]
Guimon, Pfister-Guillouzo, et al., 1974
Guimon, C.; Pfister-Guillouzo, G.; Arbelot, M.; Chanon, M.,
Electronic structure of sulphur compounds. VII. Photoelectron spectra of thiocarbonyl J. Heterocycl. Chem..,
Tetrahedron, 1974, 30, 3831. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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