2,6-Diamino-8-[(Propylsulfanyl)Methyl]-4(1H)-Quinazolinone

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Properties Simple | Detailed

Formula C12H16N4OS+
IUPAC Name 2,6-diamino-8-(propylsulfanylmethyl)quinazolin-4-one
Molecular Mass 264.347 g·mol−1
Heat of Formation -69.8 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 311.72 Å 3
Surface Area 293.62 Å 2
HOMO Energy -8.12 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-diamino-8-[(propylthio)methyl]-1h-quinazolin-4-one
  • 2,6-diamino-8-propylsulfanylmethyl-3h-quinazoline-4-one
  • apq
InChIKey RSKNEWMEOVQZII-UHFFFAOYSA-N
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