6-[(4-Methylphenyl)Sulfanyl]-2,4-Pyrimidinediamine

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Properties Simple | Detailed

Formula C11H12N4S
IUPAC Name 6-(p-tolylsulfanyl)pyrimidine-2,4-diamine
Molecular Mass 232.305 g·mol−1
Heat of Formation 194.9 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 272.94 Å 3
Surface Area 256.17 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry Cs
Synonyms
  • 6-(4-methylphenyl)sulfanylpyrimidine-2,4-diamine
  • 6-[(4-methylphenyl)thio]pyrimidine-2,4-diamine
  • [2-amino-6-[(4-methylphenyl)thio]pyrimidin-4-yl]amine
InChIKey HJJXDVNITYURLZ-UHFFFAOYSA-N
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Elements H C S N