5-{[4-(4-Morpholinyl)Phenyl]Sulfanyl}-2,4-Quinazolinediamine

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Properties Simple | Detailed

Formula C18H19N5OS
IUPAC Name 5-(4-morpholinophenyl)sulfanylquinazoline-2,4-diamine
Molecular Mass 353.441 g·mol−1
Heat of Formation 185.6 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 401.48 Å 3
Surface Area 356.63 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(4-morpholin-4-yl-phenylsulfanyl)-2,4-quinazolinediamine
  • 5-(4-morpholin-4-ylphenyl)sulfanylquinazoline-2,4-diamine
  • 5-[(4-morpholinophenyl)thio]quinazoline-2,4-diamine
  • [2-amino-5-[(4-morpholinophenyl)thio]quinazolin-4-yl]amine
  • tq6
InChIKey CZLWCJRHDBTCGQ-UHFFFAOYSA-N
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