6-{[3-(Trifluoromethyl)Phenyl]Sulfanyl}-2,4-Quinazolinediamine

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Properties Simple | Detailed

Formula C15H11F3N4S
IUPAC Name 6-[3-(trifluoromethyl)phenyl]sulfanylquinazoline-2,4-diamine
Molecular Mass 336.335 g·mol−1
Heat of Formation -290.6 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 352.12 Å 3
Surface Area 315.55 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-diamino-6-(5-trifluoromethylphenyl)thioquinazoline
  • 2,4-quinazolinediamine, 6-((3-(trifluoromethyl)phenyl)thio)-
  • 2,4-quinazolinediamine, 6-[[3-(trifluoromethyl)phenyl]thio]-
  • 6-((3-(trifluoromethyl)phenyl)thio)-2,4-quinazolinediamine
  • 6-[[3-(trifluoromethyl)phenyl]thio]quinazoline-2,4-diamine
  • [2-amino-6-[[3-(trifluoromethyl)phenyl]thio]quinazolin-4-yl]amine
  • wr 159,412
  • wr 159412
CAS Number(s)
  • 51123-99-0
InChIKey BFQQHTILCQZRGX-UHFFFAOYSA-N
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