1,3-Dithiolane

• Formula: C₃H₆S₂
• Molecular weight: 106.210
• IUPAC Standard InChI: InChI=1S/C3H6S2/c1-2-5-3-4-1/h1-3H2 Copy

  
• IUPAC Standard InChIKey: IMLSAISZLJGWPP-UHFFFAOYSA-N Copy
• CAS Registry Number: 4829-04-3
• 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: 1,3-Dithiacyclopentane
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
  • 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 by: Robert L. Brown and Stephen E. Stein

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

Appearance 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

UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

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

Kovats' RI, non-polar column, isothermal

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

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Normal alkane RI, non-polar column, custom temperature program

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References

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

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

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Conde-Caprace and Collin, 1972
Conde-Caprace, G.; Collin, J.E., Ionization and dissociation of cyclic ethers thioethers by electron-impact. A comparison between 1,3-dioxolane, 1,3-dithiolane and 1,3-oxathiolane, Org. Mass Spectrom., 1972, 6, 415. [all data]

Kobayashi, Gleiter, et al., 1977
Kobayashi, M.; Gleiter, R.; Coffen, D.L.; Bock, H.; Schulz, W.; Stein, U., Spiroconjugation in orthothiocarbonates, Tetrahedron, 1977, 33, 433. [all data]

Baker, Brisk, et al., 1976
Baker, A.D.; Brisk, M.A.; Venanzi, T.J.; Kwon, Y.S.; Sadka, S., Spiroconjugation involving sulfur 3p atomic orbitals, Tetrahedron Lett., 1976, 38, 3415. [all data]

Bergson and Schotte, 1962
Bergson, G.; Schotte, L., Acta Chem. Scand., 1962, 16, 1159. [all data]

Misharina and Golovnya, 1994
Misharina, T.A.; Golovnya, R.V., Spectral and gas-chromatographic characterization of 4-methyl-2-alkyl substituted 1,3-oxothiolanes and 1,3-dithiolanes, Zh. Anal. Khim., 1994, 49, 4, 395-401. [all data]

Garbuzov, Misharina, et al., 1985
Garbuzov, V.G.; Misharina, T.A.; Aerov, A.F.; Golovnya, R.V., Gas chromatographic retention indices for sulphur(II)-containing organic substances, J. Anal. Chem. USSR (Engl. Transl.), 1985, 40, 4, 576-586. [all data]

Golovnya, Misharina, et al., 1983
Golovnya, R.V.; Misharina, T.A.; Garbuzov, V.G.; Medvedyev, F.A., Volatile sulfur containing compounds in simulated meat flavour and their comparison with the constituents of natural aroma, Nahrung, 1983, 27, 3, 237-249, https://doi.org/10.1002/food.19830270314 . [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  Tboil	Boiling point

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