Tcmdc-131943

Molecule SVG Image

Properties Simple | Detailed

Formula C14H12N4S
IUPAC Name 5-phenylsulfanylquinazoline-2,4-diamine
Molecular Mass 268.337 g·mol−1
Heat of Formation 326.4 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 304.83 Å 3
Surface Area 275.27 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(phenylthio)quinazoline-2,4-diamine
  • 5-phenylsulfanyl-2,4-quinazolinediamine
  • 5-phenylthioquinazoline-2,4-diamine
  • [2-amino-5-(phenylthio)quinazolin-4-yl]amine
  • tq3
InChIKey BUFDQCGCADQQQY-UHFFFAOYSA-N
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Elements H C S N