Pyrimidinethione

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Properties Simple | Detailed

Formula C4H4N2S+
IUPAC Name pyrimidine-2-thione
Molecular Mass 112.153 g·mol−1
Heat of Formation 214.3 ± 16.7 kJ·mol−1
Dipole Moment 6.86 ± 1.08 D
Volume 127.11 Å 3
Surface Area 137.16 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry Cs
Synonyms
  • 107646-94-6 (deleted)
  • 19351-11-2 (deleted)
  • 1h-pyrimidine-2-thione
  • 2(1h)-pyrimidinethione
  • 2-mercaptopyrimidine
  • 2-pyrimidinethiol
  • 2-pyrimidinethione
  • 2-thiopyrimidine
  • pyrimidine-1-thiol
  • pyrimidine-2-thiol
CAS Number(s)
  • 53745-18-9
  • 107646-94-6
  • 19351-11-2
  • 1450-85-7
InChIKey HBCQSNAFLVXVAY-UHFFFAOYSA-N
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