Ethanethioamide

• Formula: C₂H₅NS
• Molecular weight: 75.133
• IUPAC Standard InChI: InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4) Copy

  
• IUPAC Standard InChIKey: YUKQRDCYNOVPGJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 62-55-5
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Acetamide, thio-; Acetimidic acid, thio-; Acetothioamide; Thiacetamide; Thioacetamide; TAA; CH3CSNH2; USAF CB-21; USAF EK-1719; Rcra waste number U218; NSC 2120
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

De-protonation reactions

C₂H₄NS^- +  =

By formula: C₂H₄NS^- + H⁺ = C₂H₅NS

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics data, References, Notes

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

References

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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]

Mines and Thompson, 1975
Mines, G.W.; Thompson, H.W., The photoelectron spectra of amides, thioamides, ureas and thioureas, Spectrochim. Acta, 1975, 31, 137. [all data]

Guimon, Gonbeau, et al., 1974
Guimon, C.; Gonbeau, D.; Pfister-Guillouzo, G.; Asbrink, L.; Sandstrom, J., Electronic structure of sulphur compounds. VI. Photoelectron spectra of some simple thiocarbonyl compounds, J. Electron Spectrosc. Relat. Phenom., 1974, 4, 49. [all data]

Decouzon, Exner, et al., 1994
Decouzon, M.; Exner, O.; Gal, J.F.; Maria, P.C.; Waisser, K., Acidity and basicity of thiocarboxamides in the gas phase, J. Phys. Org. Chem., 1994, 7, 9, 511, https://doi.org/10.1002/poc.610070907 . [all data]

Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  IE (evaluated)	Recommended ionization energy
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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