5-Mercaptomethyluracil

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Properties Simple | Detailed

Formula C5H6N2O2S
IUPAC Name 5-(sulfanylmethyl)-1h-pyrimidine-2,4-dione
Molecular Mass 158.178 g·mol−1
Heat of Formation -324.9 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 172.22 Å 3
Surface Area 171.76 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 5-(mercaptomethyl)-
  • 5-(mercaptomethyl)-1h-pyrimidine-2,4-dione
  • 5-(mercaptomethyl)uracil
CAS Number(s)
  • 4874-36-6
InChIKey UJHZBYGCKHWQJT-UHFFFAOYSA-N
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