4-Amino-2-Methylthio-5-Pyrimidinemethanol

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Properties Simple | Detailed

Formula C6H9N3OS
IUPAC Name (4-amino-2-methylsulfanyl-pyrimidin-5-yl)methanol
Molecular Mass 171.220 g·mol−1
Heat of Formation -76.2 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 194.9 Å 3
Surface Area 194.1 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (4-amino-2-methylsulfanylpyrimidin-5-yl)methanol
  • 5-pyrimidinemethanol, 4-amino-2-(methylthio)-
  • [4-amino-2-(methylsulfanyl)-5-pyrimidinyl]methanol
  • [4-amino-2-(methylthio)-5-pyrimidinyl]methanol
  • [4-amino-2-(methylthio)pyrimidin-5-yl]methanol
  • an-584/43408171
  • mahp
  • methioprim
  • sq 15297
CAS Number(s)
  • 588-36-3
InChIKey XLVOWGDFXAVSFE-UHFFFAOYSA-N
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