2-Thiazolidinethione

• Formula: C₃H₅NS₂
• Molecular weight: 119.208
• IUPAC Standard InChI: InChI=1S/C3H5NS2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5) Copy

  
• IUPAC Standard InChIKey: WGJCBBASTRWVJL-UHFFFAOYSA-N Copy
• CAS Registry Number: 96-53-7
• 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: Mercaptothiazoline; Metabasal; Thiazolidine-2-thione; Thyroidan; 1,3-Thiazolidine-2-thione; 2(3H)-Thiazolethione, 4,5-dihydro-; 2-Mercapto-Δ2-thiazoline; 2-Mercapto-2-thiazoline; 2-Mercaptothiazoline; 2-Thiazolidenethione; 2-Thiazoline-2-thiol; 2-Thiothiazolidone; 4,5-Dihydro-2-mercaptothiazole; Thiazolidin-2-thione; Thiazoline-2-thiol; 2-Thiozolidinethione; Tetrahydrothiazole-2-thione; 4,5-Dihydro-thiazole-2-thiol; NSC 680; Sancelent 2MT; WR 305
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • 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: 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IR 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: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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.

Roux, Temprado, et al., 2009
Roux, Maria Victoria; Temprado, Manuel; Jimenez, Pilar; Foces-Foces, Concepcion; Notario, Rafael; Parameswar, Archana R.; Demchenko, Alexei V.; Chickos, James S.; Deakyne, Carol A.; Ludden, Alicia K.; Liebman, Joel F., Experimental and Theoretical Study of the Structures and Enthalpies of Formation of the Synthetic Reagents 1,3-Thiazolidine-2-thione and 1,3-Oxazolidine-2-thione, J. Phys. Chem. A, 2009, 113, 40, 10772-10778, https://doi.org/10.1021/jp9034216 . [all data]

Temprado, Roux, et al., 2008
Temprado, Manuel; Roux, Maria Victoria; Parameswar, Archana R.; Demchenko, Alexei V.; Chickos, James S.; Liebman, Joel F., Thermophysical properties in medium temperature range of several thio and dithiocarbamates, J Therm Anal Calorim, 2008, 91, 2, 471-475, https://doi.org/10.1007/s10973-007-8345-8 . [all data]

Andreocci, Devillanova, et al., 1980
Andreocci, M.V.; Devillanova, F.A.; Furlani, C.; Mattogno, G.; Verani, G.; Zanoni, R., Structural characterization of some substituted azolidine molecules: UPS photoelectron spectroscopic studies, J. Mol. Struct., 1980, 69, 151. [all data]

Guimon, Pfister-Guillouzo, et al., 1974
Guimon, C.; Pfister-Guillouzo, G.; Arbelot, M.; Chanon, M., Electronic structure of sulphur compounds. VII. Photoelectron spectra of thiocarbonyl J. Heterocycl. Chem.., Tetrahedron, 1974, 30, 3831. [all data]

Notes

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• 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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