4-Quinazolinol, 2-Mercapto-

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Properties Simple | Detailed

Formula C8H6N2OS++
IUPAC Name 2-thioxoquinazolin-4-one
Molecular Mass 178.211 g·mol−1
Heat of Formation -1.2 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 192.08 Å 3
Surface Area 191.22 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,3-dihydro-2-thioxoquinazolin-4(1h)-one
  • 2-mercapto-4(3h)-quinazolinone
  • 2-sulfanylidene-1h-quinazolin-4-one
  • 2-thioxo-1h-quinazolin-4-one
  • 4(1h)-quinazolinone, 2,3-dihydro-2-thioxo-
  • zero/005698
CAS Number(s)
  • 13906-09-7
InChIKey PUPFOFVEHDNUJU-UHFFFAOYSA-N
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