Barbituric acid, 2-thio-
- Formula: C4H4N2O2S
- Molecular weight: 144.152
- IUPAC Standard InChI: InChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
- IUPAC Standard InChIKey: RVBUGGBMJDPOST-UHFFFAOYSA-N
- CAS Registry Number: 504-17-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: 4,6(1H,5H)-Pyrimidinedione, dihydro-2-thioxo-; Bathyran; Thiobarbituric acid; 2-Mercapto-4,6-dihydroxypyrimidine; 2-Thio-4,6-dioxypyrimidine; 2-Thiobarbituric acid; 4,6(1H,5H)-Pyrimidinedione, 2-mercapto-; 4,6-Dihydroxy-2-thiopyrimidine; 4,6-Dihydroxy-2-mercaptopyrimidine; USAF EK-660; Austranal; 2-Mercaptobarbituric acid; NSC 4733; 1,2,3,4,5,6-Hexahydro-4,6-dioxopyrimidine-2-thione
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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
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 110. ± 4.0 | 430. | TE | Brunetti and Piacente, 1999 | Based on data from 400. to 461. K. |
UV/Visible 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.
Spectrum
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Additional Data
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| Source | Ivin, et al., 1974 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 23936 |
| Instrument | SF-16 |
| Melting point | 235 dec. |
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.
Brunetti and Piacente, 1999
Brunetti, B.; Piacente, V.,
Sublimation Enthalpies Study for Barbituric, Tiobarbituric, and Selenobarbituric Acids from Their Vapor Pressure Measurements,
J. Chem. Eng. Data, 1999, 44, 4, 809-812, https://doi.org/10.1021/je980300k
. [all data]
Ivin, et al., 1974
Ivin, B.A., et al.,
Zhur. Organ. Khim., 1974, 10, 1968. [all data]
Notes
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- Symbols used in this document:
ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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