Thiourea

• Formula: CH₄N₂S
• Molecular weight: 76.121
• IUPAC Standard InChI: InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4) Copy

  
• IUPAC Standard InChIKey: UMGDCJDMYOKAJW-UHFFFAOYSA-N Copy
• CAS Registry Number: 62-56-6
• 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: Urea, thio-; β-Thiopseudourea; Pseudothiourea; Pseudourea, 2-thio-; Thiocarbamide; THU; 2-Thiourea; (NH2)2CS; Sulourea; Urea, 2-thio-; USAF EK-497; Isothiourea; Rcra waste number U219; Thiocarbonic acid diamide; Thiomocovina; 2-Thiopseudourea; Tsizp 34; UN 2877; Sulfourea; NSC 5033
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Mass spectrum (electron ionization)
• Data at other public NIST sites:
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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Gas phase thermochemistry data

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of sublimation

Entropy 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

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

References

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Notes

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

Gomez and Sabbah, 1982
Gomez, L.A.T.; Sabbah, R., Thermodynamique de substances soufrees. IV. Etude thermochimique de la thiouree, de la thiosemicarbazide et de la thiocarbohydrazide, Thermochim. Acta, 1982, 57, 67-81. [all data]

Kim, Lee, et al., 1994
Kim, K.-J.; Lee, C.-H.; Ryu, S.-K., Solubility of Thiourea in C1 to C6 1-Alcohols, J. Chem. Eng. Data, 1994, 39, 228-30. [all data]

Donnelly, Drewes, et al., 1990
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W., Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry, Thermochim. Acta, 1990, 167, 2, 155, https://doi.org/10.1016/0040-6031(90)80476-F . [all data]

Zordan, Hurkot, et al., 1972
Zordan, T.A.; Hurkot, D.G.; Peterson, M.; Hepler, L.G., Enthalpies and entropies of melting from differential scanning calorimetry and freezing point depressions: urea, methylurea, 1, 1-dimethylurea, 1, 3- dimethylurea, tetramethylurea, and thiourea, Thermochim. Acta, 1972, 5, 21. [all data]

Della Gatta, Józwiak, et al., 2000
Della Gatta, Giuseppe; Józwiak, Malgorzata; Brunetti, Bruno; Abate, Lorenzo, Enthalpies and entropies of fusion and of sublimation at the temperature 298.15 K of thiourea and sevenN-alkylthioureas, The Journal of Chemical Thermodynamics, 2000, 32, 8, 979-997, https://doi.org/10.1006/jcht.2000.0662 . [all data]

Ferro, Martino, et al., 1994
Ferro, Daniela; Martino, Rosalba; Gatta, Giuseppe Della, Sublimation enthalpies and entropies of thiourea, 1-methyl-2-thiourea, 1,3-dimethyl-2-thiourea, and 1,1,3,3-tetramethyl-2-thiourea, The Journal of Chemical Thermodynamics, 1994, 26, 2, 183-190, https://doi.org/10.1006/jcht.1994.1037 . [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]

Alfonso, Gomez, et al., 1982
Alfonso, Luis; Gomez, Torres; Sabbah, Raphaël, Thermodynamique de substances soufrees. IV. Etude thermochimique de la thiouree, de la thiosemicarbazide et de la thiocarbohydrazide, Thermochimica Acta, 1982, 57, 1, 67-81, https://doi.org/10.1016/0040-6031(82)87024-X . [all data]

Torres Gomez and Sabbah, 1982
Torres Gomez, L.A.F.; Sabbah, R., Thermodynamic de substances soufrees. IV. Etude thermochimique de las thiouree, de la thiosemicarbazide et de la thiocarbohydrazide, Thermochim. Acta, 1982, 57, 67-81. [all data]

Torres, Hernandez-Contreras, et al., 1999
Torres, L.A.; Hernandez-Contreras, I.; Guardado, J.A.; Gonzalez, M.G., A quartz crystal microbalance to determine enthalpies of sublimation at intermediate temperatures by the Knudsen effusion method, Meas. Sci. Technol., 1999, 5, 1, 51-54, https://doi.org/10.1088/0957-0233/5/1/009 . [all data]

Dou, Fuess, et al., 1994
Dou, S.-Q.; Fuess, H.; Schmahl, W.; Strauss, R.; Weiss, A., Orientational order-disorder and phase transition in solid trichloromethane sulfonic acid chloride, Cl3CSO2Cl, Z. Naturforsch., A: Phys. Sci., 1994, 49, 4-5, 594. [all data]

Kim, Lee, et al., 1994, 2
Kim, Kwang-Joo; Lee, Choul-Ho; Ryu, Sheung-Kon, Solubility of Thiourea in C1 to C6 1-Alcohols, J. Chem. Eng. Data, 1994, 39, 2, 228-230, https://doi.org/10.1021/je00014a008 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Baldwin, Loudon, et al., 1976
Baldwin, M.A.; Loudon, A.G.; Maccoll, A.; Webb, K.S., The nature and fragmentation pathways of the molecular ions of some arylureas, arylthioureas, acetanilides, thioacetanilides and related compounds, Org. Mass Spectrom., 1976, 11, 1181. [all data]

Debies and Rabalais, 1974
Debies, T.P.; Rabalais, J.W., Electronic structure of amino acids and ureas, J. Electron Spectrosc. Relat. Phenom., 1974, 3, 315. [all data]

Baldwin, Maccoll, et al., Ind. 1966
Baldwin, M.; Maccoll, A.; Kirkien-Konasiewicz, A.; Saville, B., Ionisation potentials of the N-methylated thioureas, Chem., Ind. 1966, 286. [all data]

Mines and Thompson, 1975
Mines, G.W.; Thompson, H.W., The photoelectron spectra of amides, thioamides, ureas and thioureas, Spectrochim. Acta, 1975, 31, 137. [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]

Guimon, Gonbeau, et al., 1974
Guimon, C.; Gonbeau, D.; Pfister-Guillouzo, G.; Asbrink, L.; Sandstrom, J., Electronic structure of sulphur compounds. VI. Photoelectron spectra of some simple thiocarbonyl compounds, J. Electron Spectrosc. Relat. Phenom., 1974, 4, 49. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, References

• Symbols used in this document:
  

  Tfus	Fusion (melting) point
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions
  ΔsubS	Entropy of sublimation

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