- Formula: C5H6N2O2
- Molecular weight: 126.1133
- IUPAC Standard InChIKey: RWQNBRDOKXIBIV-UHFFFAOYSA-N
- CAS Registry Number: 65-71-4
- Chemical structure:
This structure is also available as a 2d Mol file
- Other names: 2,4(1H,3H)-Pyrimidinedione, 5-methyl-; Thymin; 2,4-Dihydroxy-5-methylpyrimidine; 5-Methyluracil; 5-Methyl-2,4-dioxypyrimidine; 5-Methyl-2,4(1H,3H)-pyrimidinedione
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Ion clustering 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
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C5H7N2O2+ + = (C5H7N2O2+ )
By formula: C5H7N2O2+ + C5H6N2O2 = (C5H7N2O2+ C5H6N2O2)
|rH°||126.||kJ/mol||PHPMS||Meot-Ner (Mautner), 1979||gas phase; M|
|rS°||150.||J/mol*K||PHPMS||Meot-Ner (Mautner), 1979||gas phase; M|
+ = ( )
By formula: K+ + C5H6N2O2 = (K+ C5H6N2O2)
|rH°||102.||kJ/mol||CIDC||Cerda and Wesdemiotis, 1996||RCD|
+ = ( )
By formula: Na+ + C5H6N2O2 = (Na+ C5H6N2O2)
|rH°||135. ± 4.||kJ/mol||CIDT||Rodgers and Armentrout, 2000||RCD|
|rH°||144.||kJ/mol||CIDC||Cerda and Wesdemiotis, 1996||RCD|
Go To: Top, Ion clustering data, Notes
Meot-Ner (Mautner), 1979
Meot-Ner (Mautner), M., Ion Thermochemistry of Low Volatility Compounds in the Gas Phase. II. Intrinsic Basicities and Hydrogen Bonded Dimers of Nitrogen Heterocyclics and Nucleic Bases, J. Am. Chem. Soc., 1979, 101, 9, 2396, https://doi.org/10.1021/ja00503a027 . [all data]
Cerda and Wesdemiotis, 1996
Cerda, B.A.; Wesdemiotis, C., PAs of Peptides, J. Am. Chem. Soc., 1996, 118, 11884. [all data]
Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Interactions of Nucleic Acid Bases (Uracil, Thymine, and Adenine) with Alkali Metal Ions. Threshold Collision-Induced Dissociation and Theoretical Studies, J. Am. Chem. Soc., 2000, 121, 35, 8548, https://doi.org/10.1021/ja001638d . [all data]
Go To: Top, Ion clustering data, References
- Symbols used in this document:
rH° Enthalpy of reaction at standard conditions rS° Entropy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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