1,3-Dithiane-2-thione

• Formula: C₄H₆S₃
• Molecular weight: 150.285
• IUPAC Standard InChI: InChI=1S/C4H6S3/c5-4-6-2-1-3-7-4/h1-3H2 Copy

  
• IUPAC Standard InChIKey: BVNLWJVULAZODX-UHFFFAOYSA-N Copy
• CAS Registry Number: 1748-15-8
• 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: 1,3-Dithian-2-thione; m-Dithiane-2-thione; Carbonic acid, trithio-, cyclic trimethylene ester; Trimethylene trithiocarbonate; 1,3-Dithiacyclohexane-2-thione; 1,3-Propanedithiol, cyclic carbonotrithioate; 1,3-Propanedithiol, cyclic trithioacrbonate
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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

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 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:
LLK - 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

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

Geiseler, Schaffernicht, et al., 1967
Geiseler, V.G.; Schaffernicht, H.; Walther, H.J., Bildungsenthalpien und Mesomerieenergien von π-Bindungssystemen, Ber. Bunsen-Ges. Phys. Chem., 1967, 71, 196-199. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]

Guimon, Gonbeau, et al., 1974
Guimon, C.; Gonbeau, D.; Pfister-Guillouzo, G.; Asbrink, L.; Sandstrom, J., Electronic structure of sulphur compounds. VI. Photoelectron spectra of some simple thiocarbonyl compounds, J. Electron Spectrosc. Relat. Phenom., 1974, 4, 49. [all data]

Notes

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• Symbols used in this document:
  

  ΔcH°gas	Enthalpy of combustion of gas 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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