Thioacetone

• Formula: C₃H₆S
• Molecular weight: 74.145
• IUPAC Standard InChI: InChI=1S/C3H6S/c1-3(2)4/h1-2H3 Copy

  
• IUPAC Standard InChIKey: JTNXQVCPQMQLHK-UHFFFAOYSA-N Copy
• CAS Registry Number: 4756-05-2
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Species with the same structure:
  • 2-thioxo-propane
• Information on this page:
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Vibrational and/or electronic energy levels

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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: Marilyn E. Jacox

State:   E

State:   D

State:   C

State:   B

State:   A

State:   a

State:   X

Additional references: Jacox, 1994, page 415; Kroto, Landsberg, et al., 1974; Bruno, Moule, et al., 1989

Notes

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.

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]

Paone, Moule, et al., 1984
Paone, S.; Moule, D.C.; Bruno, A.E.; Steer, R.P., Vibronic analyses of the Rydberg and lower intravalence electronic transitions in thioacetone, J. Mol. Spectrosc., 1984, 107, 1, 1, https://doi.org/10.1016/0022-2852(84)90260-1 . [all data]

Moule, Smeyers, et al., 1991
Moule, D.C.; Smeyers, Y.G.; Senent, M.L.; Clouthier, D.J.; Karolczak, J.; Judge, R.H., An analysis of the methyl rotation dynamics in the S0 (X 1A1) and T1 (a 3A2) states of thioacetone, (CH3)2CS and (CD3)2CS from pyrolysis jet spectra, J. Chem. Phys., 1991, 95, 5, 3137, https://doi.org/10.1063/1.460871 . [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]

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]

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]

Notes

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