6-Phenyl-2-Thiouracil

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Properties Simple | Detailed

Formula C10H8N2OS
IUPAC Name 6-phenyl-2-thioxo-pyrimidin-4-one
Molecular Mass 204.248 g·mol−1
Heat of Formation 43.6 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 231.5 Å 3
Surface Area 225.5 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • 2-mercapto-4-phenyl-6-pyrimidinol
  • 4(1h)-pyrimidinone, 2,3-dihydro-6-phenyl-2-thioxo-
  • 6-phenyl-2-sulfanylidene-1h-pyrimidin-4-one
  • 6-phenyl-2-thioxo-1h-pyrimidin-4-one
  • 6-phenyl-2-thioxo-2,3-dihydro-4(1h)-pyrimidinone
  • 6-phenylthiouracil
  • 6-pyrimidinol, 2-mercapto-4-phenyl-
  • bb_sc-1406
  • cbchromo1_000231
  • cbdive_012254
  • chemdiv3_000344
  • phenylthiouracil
  • sr-01000636416-1
  • uw6830000
CAS Number(s)
  • 36822-11-4
InChIKey XEKNACRTWJHOCE-UHFFFAOYSA-N
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