2-[(2-Fluorobenzyl)Sulfanyl]-4,6-Dimethylpyrimidine

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Properties Simple | Detailed

Formula C13H13FN2S
IUPAC Name 2-[(2-fluorophenyl)methylsulfanyl]-4,6-dimethyl-pyrimidine
Molecular Mass 248.319 g·mol−1
Heat of Formation -26.6 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 293.24 Å 3
Surface Area 274.08 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2-fluorobenzyl)thio]-4,6-dimethyl-pyrimidine
  • 2-[(2-fluorophenyl)methylsulfanyl]-4,6-dimethylpyrimidine
  • 2-[(2-fluorophenyl)methylthio]-4,6-dimethylpyrimidine
InChIKey DDCNSDGGGJIBTM-UHFFFAOYSA-N
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Elements H S N C F