3-(2-Sulfanylethyl)-2,4(1H,3H)-Quinazolinedione

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Properties Simple | Detailed

Formula C10H10N2O2S
IUPAC Name 3-(2-sulfanylethyl)-1h-quinazoline-2,4-dione
Molecular Mass 222.264 g·mol−1
Heat of Formation -259.7 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 247.82 Å 3
Surface Area 234.0 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-quinazolinedione, 3-(2-mercaptoethyl)-
  • 3-(2-mercaptoethyl)-1h-quinazoline-2,4-dione
  • 3-(2-mercaptoethyl)-1h-quinazoline-2,4-quinone
  • 3-(2-mercaptoethyl)quinazoline-2,4(1h,3h)-dione
  • 3-(2-sulfanylethyl)-1h-quinazoline-2,4-dione
  • awd 100-041
  • awd-100-041
  • oprea1_089750
CAS Number(s)
  • 138400-06-3
InChIKey GRNHLFULJDXJKR-UHFFFAOYSA-N
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