2,4(1H,3H)-Pyrimidinedithione

• Formula: C₄H₄N₂S₂
• Molecular weight: 144.218
• IUPAC Standard InChI: InChI=1S/C4H4N2S2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) Copy

  
• IUPAC Standard InChIKey: ZEQIWKHCJWRNTH-UHFFFAOYSA-N Copy
• CAS Registry Number: 2001-93-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Uracil, 2,4-dithio-; Dithiouracil; 2,4-Dimercaptopyrimidine; 2,4-Dithiouracil; 2,4-Dithioxopyrimidine; 2,4-Pyrimidinedithiol; Pyrimidine-2,4-dithiol; 2,4-Dithiopyrimidine; Dithiopyrimidine; USAF CB-14; NSC 42031
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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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

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:
B - John E. Bartmess

Electron affinity determinations

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Free Links, Notes

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

Teplitskii and Yanson, 1975
Teplitskii, A.B.; Yanson, I.K., Effect of substituents on the heat of sublimation of nucleic acid nitrogenous bases, Biofizika, 1975, 20, 189. [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]

Li, Chen, et al., 2011
Li, X.A.; Chen, J.; Bowen, K.H., Photoelectron spectroscopic study of the negative ions of 4-thiouracil and 2,4-dithiouracil, J. Chem. Phys., 2011, 134, 7, 074304, https://doi.org/10.1063/1.3555177 . [all data]

Notes

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• Symbols used in this document:
  

  EA	Electron affinity
  ΔsubH	Enthalpy of sublimation

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