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
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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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

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

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

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]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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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