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:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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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
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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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

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.

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

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• 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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