4,4,6-Trimethyl-1-(3-Nitrophenyl)-1,4-Dihydropyrimidine-2-Thiol

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Properties Simple | Detailed

Formula C13H15N3O2S
IUPAC Name 4,6,6-trimethyl-3-(3-nitrophenyl)-1h-pyrimidine-2-thione
Molecular Mass 277.342 g·mol−1
Heat of Formation 134.3 ± 16.7 kJ·mol−1
Dipole Moment 8.21 ± 1.08 D
Volume 327.35 Å 3
Surface Area 286.31 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-nitrophenyl)-2-thio-4,4,6-trimethyl dihydropyrimidine
  • 1-(3-nitrophenyl)-4,4,6-trimethyl-1h,4h-pyrimidine-2-thiol
  • 2(1h)-pyrimidinethione, 3,4-dihydro-1-(m-nitrophenyl)-4,4,6-trimethyl-
  • 2(1h)-pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-nitrophenyl)-
  • 2(1h)-pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(3-nitrophenyl)- (9ci)
  • 4,4,6-trimethyl-1-(3-nitrophenyl)-3h-pyrimidine-2-thione
  • usaf k-1352
CAS Number(s)
  • 37489-52-4
InChIKey FPHPUXDLDLVQCI-UHFFFAOYSA-N
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