1,3,5-Trithiane

• Formula: C₃H₆S₃
• Molecular weight: 138.275
• IUPAC Standard InChI: InChI=1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2 Copy

  
• IUPAC Standard InChIKey: LORRLQMLLQLPSJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 291-21-4
• 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: s-Trithiane; Formaldehyde, thio-, trimer; Trimethylene trisulfide; Trithioformaldehyde; 1,3,5-Trithiacyclohexane; sym-Trithiane; sym-Trithian; Thioform; Trimethylentrisulfid; NSC 1937
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Gas Chromatography
  • 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 by: William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

Enthalpy of fusion

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

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

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

Roux, Jiménez, et al., 2001
Roux, María Victoria; Jiménez, Pilar; Dávalos, Juan Z.; Notario, Rafael; Juaristi, Eusebio, Calorimetric and Computational Study of 1,3,5-Trithiane ^«8224», J. Org. Chem., 2001, 66, 16, 5343-5351, https://doi.org/10.1021/jo001757b . [all data]

De Wit, Van Miltenburg, et al., 1983
De Wit, H.G.M.; Van Miltenburg, J.C.; De Kruif, C.G., Thermodynamic properties of molecular organic crystals containing nitrogen, oxygen, and sulphur 1. Vapour pressures and enthalpies of sublimation, The Journal of Chemical Thermodynamics, 1983, 15, 7, 651-663, https://doi.org/10.1016/0021-9614(83)90079-4 . [all data]

van Miltenburg and van Ekeren, 2002
van Miltenburg, J.C.; van Ekeren, P.J., Thermodynamic properties of 1,3,5-trithiane derived from solid phase heat capacity measurements by adiabatic calorimetry and DSC measurements in the melting range, Thermochimica Acta, 2002, 385, 1-2, 11-17, https://doi.org/10.1016/S0040-6031(01)00719-5 . [all data]

Bock, Schulz, et al., 1981
Bock, H.; Schulz, W.; Schmidt, M., P. E. spektren und molekuleigenschaften. 89. Ionissationsmuster und konformation von Cyclo-Polythianen (H₂CS)n, Z. Anorg. Allg. Chem., 1981, 474, 199. [all data]

Kroto, Landsberg, et al., 1974
Kroto, H.W.; Landsberg, B.M.; Suffolk, R.J.; Vodden, A., The photoelectron and microwave spectra of the unstable species thioacetaldehyde, CH₃CHS, and thioacetone, (CH₃)₂CS, Chem. Phys. Lett., 1974, 29, 265. [all data]

Sweigart and Turner, 1972
Sweigart, D.A.; Turner, D.W., Lone pair orbitals and their interactions studied by photoelectron spectroscopy. II. Equivalent orbitals in saturated oxygen and sulfur J. Heterocycl. Chem., J. Am. Chem. Soc., 1972, 94, 5599. [all data]

Ames, Guy, et al., 2001
Ames, J.M.; Guy, R.C.E.; Kipping, G.J., Effect of pH and temperature on the formation of volatile compounds in cysteine/reducing sugar/starch mixtures during extrusion cooking, J. Agric. Food Chem., 2001, 49, 4, 1885-1894, https://doi.org/10.1021/jf0012547 . [all data]

Chen and Ho, 1986
Chen, C.-C.; Ho, C.-T., Identification of sulfurous compounds of shiitake mushroom (Lentinus edodes Sing.), J. Agric. Food Chem., 1986, 34, 5, 830-833, https://doi.org/10.1021/jf00071a016 . [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

Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, References

• Symbols used in this document:
  

  ΔfusH	Enthalpy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

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