4,6-Dimethyl-2-Thiolpyrimidine

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Properties Simple | Detailed

Formula C6H8N2S+
IUPAC Name 4,6-dimethylpyrimidine-2-thione
Molecular Mass 140.206 g·mol−1
Heat of Formation 117.8 ± 16.7 kJ·mol−1
Dipole Moment 7.93 ± 1.08 D
Volume 170.34 Å 3
Surface Area 176.05 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry Cs
Synonyms
  • 2(1h)-pyrimidinethione, 4,6-dimethyl-
  • 2-mercapto-4,6-dimethyl-pyrimidine
  • 2-mercapto-4,6-dimethylpyrimidine
  • 2-pyrimidinethiol, 4,6-dimethyl-
  • 4,6-dimethyl-1h-pyrimidine-2-thione
  • 4,6-dimethyl-2(1h)-pyrimidinethione
  • 4,6-dimethyl-2-mercaptopyrimidine
  • 4,6-dimethyl-2-pyrimidinethiol
  • 4,6-dimethyl-2-thiopyrimidine
CAS Number(s)
  • 22325-27-5
  • 13139-97-4
InChIKey RAFAYWADRVMWFA-UHFFFAOYSA-N
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