5,6-Diamino-2-Sulfanylpyrimidin-4-Ol

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Properties Simple | Detailed

Formula C4H6N4OS
IUPAC Name 5,6-diamino-2-thioxo-pyrimidin-4-one
Molecular Mass 158.182 g·mol−1
Heat of Formation -47.6 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 167.72 Å 3
Surface Area 172.64 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry Cs
Synonyms
  • 4(1h)-pyrimidinone, 5,6-diamino-2,3-dihydro-2-thioxo-
  • 4,5-diamino-2-mercaptopyrimidine-6-ol
  • 4,5-diamino-2-thiouracil
  • 4,5-diamino-6-hydroxy-2-mercaptopyrimidine
  • 4,5-diamino-6-hydroxy-2-thiopyrimidine
  • 5,6-diamino-2-sulfanylidene-1h-pyrimidin-4-one
  • 5,6-diamino-2-sulfanylpyrimidin-4(3h)-one
  • 5,6-diamino-2-thiouracil
  • 5,6-diamino-2-thioxo-1h-pyrimidin-4-one
  • ac-907/25005461
  • ald-n037856
  • uracil, 5,6-diamino-2-thio-
  • uracil, 5,6-diamino-2-thio- (van) (8ci)
CAS Number(s)
  • 1004-76-8
InChIKey QYSWOQHLIDKEOL-UHFFFAOYSA-N
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