Thiourea
- Formula: CH4N2S
- Molecular weight: 76.121
- IUPAC Standard InChI: InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
- IUPAC Standard InChIKey: UMGDCJDMYOKAJW-UHFFFAOYSA-N
- 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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Condensed phase thermochemistry data
Go To: Top, Mass spectrum (electron ionization), References, Notes
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -89.1 ± 0.5 | kJ/mol | Ccr | Gomez and Sabbah, 1982 | ALS |
| ΔfH°solid | -90.0 | kJ/mol | Ccb | Becker and Roth, 1934 | hf_H2SO4.10,000H2O=-900.752 kJ/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1478.03 ± 0.45 | kJ/mol | Ccr | Gomez and Sabbah, 1982 | ALS |
| ΔcH°solid | -1474.4 ± 2.1 | kJ/mol | Ccr | Sunner, 1946 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1483.7 kJ/mol; ALS |
| ΔcH°solid | -1488. ± 0.8 | kJ/mol | Ccb | Becker and Roth, 1934 | hf_H2SO4.10,000H2O=-900.752 kJ/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 115.8 | J/mol*K | N/A | Westrum and Chang, 1967 | DH |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 96.90 | 298.15 | Torres Gomez and Sabbah, 1982 | Cp data given as 1.273 J/g*K. Data from 67WES/CHA.; DH |
| 96.90 | 298.15 | Westrum and Chang, 1967 | Temperature range.; DH |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-NW-1171 |
| NIST MS number | 229694 |
References
Go To: Top, Condensed phase thermochemistry 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.
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]
Becker and Roth, 1934
Becker, G.; Roth, W.A.,
Zur bestimmung der verbrennungswarme von organischen schwefelverbindunge,
Z. Phys. Chem., 1934, 169, 287-296. [all data]
Sunner, 1946
Sunner, S.,
Determination of combustion heats of organo-sulphur compounds,
Svensk. Kim. Tidr., 1946, 58, 71-81. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Westrum and Chang, 1967
Westrum, E.F., Jr.; Chang, E.,
Properties thermiques cryogenetiques de la thio-uree ferroelectrique,
Colloq. Internat. du, 1967, C.N.R.S. (156), 163-173. [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]
Notes
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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