Thioacetaldehyde

• Formula: C₂H₄S
• Molecular weight: 60.118
• IUPAC Standard InChI: InChI=1S/C2H4S/c1-2-3/h2H,1H3 Copy

  
• IUPAC Standard InChIKey: QJFUMFCCMJJLIE-UHFFFAOYSA-N Copy
• CAS Registry Number: 6851-93-0
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • UV/Visible spectrum
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Gas phase thermochemistry 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 compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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 compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₂H₄S⁺ (ion structure unspecified)

Ionization energy determinations

De-protonation reactions

C₂H₃S^- +  =

By formula: C₂H₃S^- + H⁺ = C₂H₄S

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

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, UV/Visible spectrum, 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: Marilyn E. Jacox

State:   F

State:   ?

State:   C

State:   B

State:   A

State:   a

State:   X

Additional references: Jacox, 1994, page 363; Jacox, 1998, page 324; Kroto and Landsberg, 1976; Bruno, Moule, et al., 1989; Smeyers, Nino, et al., 1990

Notes

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, UV/Visible spectrum, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Butler and Baer, 1983
Butler, J.J.; Baer, T., A photo-ionization study of organosulfur ring compounds: Thiirane, thietane and tetrahydrothiophene, Org. Mass Spectrom., 1983, 18, 248-253. [all data]

Rao, 1975
Rao, C.N.R., Lone-pair ionization bands of chromophores in the photoelectron spectra of organic molecules, Indian J. Chem., 1975, 13, 950. [all data]

Kroto, Landsberg, et al., 1974
Kroto, H.W.; Landsberg, B.M.; Suffolk, R.J.; Vodden, A., The photoelectron and microwave spectra of the unstable species thioacetaldehyde, CH₃CHS, and thioacetone, (CH₃)₂CS, Chem. Phys. Lett., 1974, 29, 265. [all data]

Zhang and Grabowski, 1989
Zhang, L.; Grabowski, J.J., The Gas-Phase Basicity and H/D Exchange Characteristics of the Parent Thiocarbonyl Enolate Anions, J. Chem. Soc. Chem. Comm. 1819, 1989. [all data]

Guillemin, Riague, et al., 2005
Guillemin, J.C.; Riague, E.H.; Gal, J.F.; Maria, P.C.; Mo, O.; Yanez, M., Acidity trends in alpha,beta-unsaturated sulfur, selenium, and tellurium derivatives: Comparison with C-, Si-, Ge-, Sn-, N-, P-, As-, and Sb-containing analogues, Chem. Eur. J., 2005, 11, 7, 2145-2153, https://doi.org/10.1002/chem.200400989 . [all data]

Rosengren, 1962
Rosengren, K., Acta Chem. Scand., 1962, 16, 2284. [all data]

Judge, Moule, et al., 1983
Judge, R.H.; Moule, D.C.; Bruno, A.E.; Steer, R.P., Thioketone spectroscopy: An analysis of the lower electronic transitions in thioacetone and thioacetaldehyde, Chem. Phys. Lett., 1983, 102, 4, 385, https://doi.org/10.1016/0009-2614(83)87061-4 . [all data]

Judge, Moule, et al., 1987
Judge, R.H.; Moule, D.C.; Bruno, A.E.; Steer, R.P., Thiocarbonyl spectroscopy: Methyl torsional vibrations and internal rotational barriers of thioacetaldehyde in its a 3A' and X 1A' states, J. Chem. Phys., 1987, 87, 1, 60, https://doi.org/10.1063/1.453554 . [all data]

Moule, Bascal, et al., 1992
Moule, D.C.; Bascal, H.A.; Smeyers, Y.G.; Clouthier, D.J.; Karolczak, J.; Nino, A., An analysis of the methyl rotation and aldehyde wagging dynamics in the S0 (X 1A') and T1 (a 3A') states of thioacetaldehyde from pyrolysis jet spectra, J. Chem. Phys., 1992, 97, 6, 3964, https://doi.org/10.1063/1.462935 . [all data]

Maier, Flogel, et al., 1991
Maier, G.; Flogel, U.; Reisenauer, H.P.; Hess, B.A., Jr.; Schaad, L.J., HCl-Abspaltung aus Ethansulfenylchlorid und Chlordimethylsulfid, Chem. Ber., 1991, 124, 11, 2609, https://doi.org/10.1002/cber.19911241134 . [all data]

Suzuki, Watanabe, et al., 1993
Suzuki, E.; Watanabe, O.; Happoya, A.; Watari, E., Photolysis of 2-methylthietane and 2,4-dimethylthietane in argon matrices: Matrix infrared spectra of thioacetaldehyde, Vib. Spectrosc., 1993, 5, 3, 353, https://doi.org/10.1016/0924-2031(93)87011-H . [all data]

Jacox, 1994
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Kroto and Landsberg, 1976
Kroto, H.W.; Landsberg, B.M., The microwave spectrum, substitution structure, internal rotation barrier, and dipole moment of thioacetaldehyde, CH3CHS, J. Mol. Spectrosc., 1976, 62, 3, 346, https://doi.org/10.1016/0022-2852(76)90275-7 . [all data]

Bruno, Moule, et al., 1989
Bruno, A.E.; Moule, D.C.; Steer, R.P., Decay dynamics of the lowest triplet and lowest excited singlet states of thioacetaldehyde and thioacetone, J. Photochem. Photobiol. A: Chem., 1989, 46, 2, 169, https://doi.org/10.1016/1010-6030(89)80003-6 . [all data]

Smeyers, Nino, et al., 1990
Smeyers, Y.G.; Nino, A.; Moule, D.C., Dynamical and spectroscopic studies of nonrigid molecules. Application to the visible spectrum of thioacetaldehyde, J. Chem. Phys., 1990, 93, 8, 5786, https://doi.org/10.1063/1.459574 . [all data]

Notes

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• Symbols used in this document:
  

  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  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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