Benzylthiouracil

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Properties Simple | Detailed

Formula C11H10N2OS
IUPAC Name 6-benzyl-2-thioxo-pyrimidin-4-one
Molecular Mass 218.275 g·mol−1
Heat of Formation 11.7 ± 16.7 kJ·mol−1
Dipole Moment 6.05 ± 1.08 D
Volume 254.66 Å 3
Surface Area 238.58 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 4(1h)-pyrimidinone, 2,3-dihydro-6-(phenylmethyl)-2-thioxo-
  • 5r-0229
  • 6-(benzyl)-2-thioxo-1h-pyrimidin-4-one
  • 6-(phenylmethyl)-2-sulfanylidene-1h-pyrimidin-4-one
  • 6-(phenylmethyl)-2-thioxo-1h-pyrimidin-4-one
  • 6-benzyl-2-sulfanyl-4-pyrimidinol
  • 6-benzyl-2-thiouracil
  • basdene
  • oprea1_298832
CAS Number(s)
  • 6336-50-1
InChIKey PNXBXCRWXNESOV-UHFFFAOYSA-N
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