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) Copy

  
• IUPAC Standard InChIKey: PDQAZBWRQCGBEV-UHFFFAOYSA-N Copy
• 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
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• 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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• Information on this page:
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
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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

Ionization energy determinations

IR Spectrum

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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 compiled by: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

Mass spectrum (electron ionization)

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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 compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

UV/Visible spectrum

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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 compiled by: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

References

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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]

Bolshakov, et al., 1969
Bolshakov, G.F., et al., Ultraviolet Spectra of Heteroorganic Compounds, 1969, 361. [all data]

Notes

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• Symbols used in this document:
  

  IE (evaluated)

  Recommended ionization energy

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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