4H-Thiopyran-4-one, tetrahydro-

• Formula: C₅H₈OS
• Molecular weight: 116.181
• IUPAC Standard InChI: InChI=1S/C5H8OS/c6-5-1-3-7-4-2-5/h1-4H2 Copy

  
• IUPAC Standard InChIKey: OVRJVKCZJCNSOW-UHFFFAOYSA-N Copy
• CAS Registry Number: 1072-72-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: 1-Thiacyclohexan-4-one; 4-Thiacyclohexanone; Penthianone; Tetrahydro-1-thio-γ-pyrone; Tetrahydro-1-thio-4-pyrone; Tetrahydro-1,4-thiapyrone; Tetrahydro-4-thiopyrone; Tetrahydro-4H-thiopyran-4-one; Tetrahydrothiopyran-4-one; 2,3,5,6-Tetrahydro-4-thiopyranone; 4-Oxotetrahydrothiopyran; 4-Oxothiane; Tetrahydrothia-4-pyranone; Tetrahydro-4H-thiapyran-4-one; 4H-tetrahydrothiopyran-4-one; 4-Thianone; NSC 41599
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
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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

Condensed 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

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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

Gas Chromatography

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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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, temperature ramp

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, Notes

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

Geiseler and Sawistowsky, 1972
Geiseler, V.G.; Sawistowsky, J., Bildungsenthalpien und Mesomerieenergien von π-Bindungssystemen. 4. Mitteilung: Bildungsenthalpien einiger Thiacyclannone, Z. Phys. Chem. (Leipzig), 1972, 250, 43-48. [all data]

Geiseler and Sawistowsky, 1972, 2
Geiseler, G.; Sawistowsky, J., Z. Phys. Chem. (Leipzig), 1972, 250, 1-2, 43. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., , Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [all data]

Zhang and Ho, 1991
Zhang, Y.; Ho, C.-T., Formation of meatlike aroma compounds from thermal reaction of inosine 5'-monophosphate with cysteine and glutathione, J. Agric. Food Chem., 1991, 39, 6, 1145-1148, https://doi.org/10.1021/jf00006a031 . [all data]

Zhang and Ho, 1991, 2
Zhang, Y.; Ho, C.-T., Comparison of the volatile compounds formed from the thermal reaction of glucose with cysteine and glutathione, J. Agric. Food Chem., 1991, 39, 4, 760-763, https://doi.org/10.1021/jf00004a029 . [all data]

Frerot, Velluz, et al., 2008
Frerot, E.; Velluz, A.; Bagnoud, A.; Delort, E., Analysis of the volatile constituents of cooked petai beans (Parkia speciosa) using high-resolution GC/TOF-MS, Flav. Fragr. J., 2008, 23, 6, 434-440, https://doi.org/10.1002/ffj.1902 . [all data]

Notes

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• Symbols used in this document:
  

  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions
  ΔvapH°	Enthalpy of vaporization at standard conditions

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