2-[(1-Naphthylmethyl)Sulfanyl]-4(1H)-Quinazolinone

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Properties Simple | Detailed

Formula C19H15N2OS+
IUPAC Name 2-(1-naphthylmethylsulfanyl)quinazolin-1-ium-3-id-4-one
Molecular Mass 319.400 g·mol−1
Heat of Formation 196.3 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 362.13 Å 3
Surface Area 329.74 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1-naphthylmethylsulfanyl)-1h-quinazolin-4-one
  • 2-(1-naphthylmethylthio)-1h-quinazolin-4-one
  • 2-(naphthalen-1-ylmethylsulfanyl)-1h-quinazolin-4-one
  • bas 00547018
  • bim-0022414.p001
  • cbmicro_022521
  • oprea1_152481
  • oprea1_741331
CAS Number(s)
  • 5489-15-6
InChIKey LTMUAFGFUZYCDP-UHFFFAOYSA-N
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