6-(Benzylsulfanyl)-2,4-Pyrimidinediamine

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Properties Simple | Detailed

Formula C11H12N4S
IUPAC Name 6-benzylsulfanylpyrimidine-2,4-diamine
Molecular Mass 232.305 g·mol−1
Heat of Formation 211.2 ± 16.7 kJ·mol−1
Dipole Moment 1.58 ± 1.08 D
Volume 272.16 Å 3
Surface Area 261.12 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 2.85 ± eV
Point Group Symmetry Cs
Synonyms
  • 6-(phenylmethylsulfanyl)pyrimidine-2,4-diamine
  • 6-(phenylmethylthio)pyrimidine-2,4-diamine
  • [2-amino-6-(benzylthio)pyrimidin-4-yl]amine
InChIKey ATPMWVFWJFZLJM-UHFFFAOYSA-N
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Elements H C S N