6-Anilino-2-Thioxo-2,3-Dihydro-4(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C10H9N3OS
IUPAC Name 6-anilino-2-thioxo-1h-pyrimidin-4-one
Molecular Mass 219.263 g·mol−1
Heat of Formation 55.7 ± 16.7 kJ·mol−1
Dipole Moment 7.60 ± 1.08 D
Volume 247.59 Å 3
Surface Area 236.97 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(phenylamino)-2-sulfanylidene-1h-pyrimidin-4-one
  • 6-(phenylamino)-2-thioxo-1h-pyrimidin-4-one
  • 6-anilino-2-thiouracil
  • atu-6,2
  • oprea1_463217
CAS Number(s)
  • 98421-02-4
InChIKey TUFAZQMRQMDSLB-UHFFFAOYSA-N
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