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)
- IUPAC Standard InChIKey: WGJCBBASTRWVJL-UHFFFAOYSA-N
- 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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Phase change data
Go To: Top, Gas phase ion energetics data, References, Notes
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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 100.5 ± 3.4 | kJ/mol | ME | Roux, Temprado, et al., 2009 | Based on data from 333. to 351. K. |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 99.8 ± 3.4 | 342. | ME | Roux, Temprado, et al., 2009 | Based on data from 333. to 351. K. |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Method | Reference |
|---|---|---|---|
| 16.8 | 377. | DSC | Temprado, Roux, et al., 2008 |
Gas phase ion energetics data
Go To: Top, Phase change data, References, Notes
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
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.25 | PE | Andreocci, Devillanova, et al., 1980 | Vertical value |
| 8.25 ± 0.03 | PE | Guimon, Pfister-Guillouzo, et al., 1974 | Vertical value |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
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
Go To: Top, Phase change data, Gas phase ion energetics data, 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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