4-Aminopyrimidine-2-Thiol

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Properties Simple | Detailed

Formula C4H5N3S+
IUPAC Name 6-aminopyrimidine-2-thione
Molecular Mass 127.168 g·mol−1
Heat of Formation 194.4 ± 16.7 kJ·mol−1
Dipole Moment 9.05 ± 1.08 D
Volume 141.79 Å 3
Surface Area 150.64 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry Cs
Synonyms
  • 2(1h)-pyrimidinethione, 4-amino-
  • 2(1h)-pyrimidinone, 4-aminothio-
  • 2-thiocytosine
  • 4-amino-2(1h)-pyrimidinethione
  • 4-amino-3h-pyrimidine-2-thione
  • cytosine, 2-thio-
  • cytosine, thio-
  • thiocytosine
CAS Number(s)
  • 333-49-3
  • 139424-16-1
  • 5807-22-7
InChIKey DCPSTSVLRXOYGS-UHFFFAOYSA-N
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