2(5H)-Thiophenone

• Formula: C₄H₄OS
• Molecular weight: 100.139
• IUPAC Standard InChI: InChI=1S/C4H4OS/c5-4-2-1-3-6-4/h1-2H,3H2 Copy

  
• IUPAC Standard InChIKey: NMSLUAZZTFUUFZ-UHFFFAOYSA-N Copy
• CAS Registry Number: 3354-32-3
• Chemical structure:
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• Other names: 2-Butenoic acid, 4-mercapto-, γ-(thio lactone); 2,5-Dihydrothiophenone
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Reduced pressure boiling point

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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

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

References

Go To: Top, Phase change data, 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.

Ribeiro da Silva, Santos, et al., 2010
Ribeiro da Silva, Manuel A.V.; Santos, Ana Filipa L.O.M.; Amaral, Luísa M.P.F., A calorimetric and computational study on the thermochemistry of 2-(5H)-furanone and 2-(5H)-thiophenone, The Journal of Chemical Thermodynamics, 2010, 42, 4, 564-570, https://doi.org/10.1016/j.jct.2009.11.013 . [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Thorstad, Undheim, et al., 1975
Thorstad, O.; Undheim, K.; Cederlund, B.; Hornfeldt, A.-B., Ionisation potentials in tautomeric analysis of 2-hydroxy derivatives of thiophenes, selenophenes, and furans, Acta Chem. Scand. Ser. B:, 1975, 29, 647. [all data]

Notes

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

• Symbols used in this document:
  

  Tboil	Boiling point
  ΔvapH°	Enthalpy of vaporization at standard conditions

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