5-Bromo-2-[(2-Thienylmethyl)Sulfonyl]Pyrimidine

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Properties Simple | Detailed

Formula C9H7BrN2O2S2
IUPAC Name 5-bromo-2-(2-thienylmethylsulfonyl)pyrimidine
Molecular Mass 319.198 g·mol−1
Heat of Formation 6.1 ± 16.7 kJ·mol−1
Dipole Moment 5.02 ± 1.08 D
Volume 281.81 Å 3
Surface Area 262.95 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-thenyl)sulfonyl-5-bromopyrimidine
  • 5-bromo-2-((2-thienylmethyl)sulfonyl)pyrimidine
  • 5-bromo-2-(thiophen-2-ylmethylsulfonyl)pyrimidine
  • ny 4137
  • pyrimidine, 5-bromo-2-((2-thienylmethyl)sulfonyl)-
CAS Number(s)
  • 79685-33-9
InChIKey DDFKYMKZRGHLAK-UHFFFAOYSA-N
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Elements C H O N S Br