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

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Properties Simple | Detailed

Formula C18H20N4S
IUPAC Name 5-(4-tert-butylphenyl)sulfanylquinazoline-2,4-diamine
Molecular Mass 324.443 g·mol−1
Heat of Formation 224.3 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 390.1 Å 3
Surface Area 341.39 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(4-tert-butylphenylthio)quinazoline-2,4-diamine
  • 5-[(4-tert-butylphenyl)thio]quinazoline-2,4-diamine
  • 5-[4-tert-butylphenylsulfanyl]-2,4-quinazolinediamine
  • [2-amino-5-[(4-tert-butylphenyl)thio]quinazolin-4-yl]amine
  • tq5
InChIKey MNYDVPDMLAJJPB-UHFFFAOYSA-N
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Elements H C S N