4-Amino-2-(Benzylthio)-6-Chloropyrimidine

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Properties Simple | Detailed

Formula C11H10ClN3S
IUPAC Name 2-benzylsulfanyl-6-chloro-pyrimidin-4-amine
Molecular Mass 251.735 g·mol−1
Heat of Formation 204.2 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 279.26 Å 3
Surface Area 267.29 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
Synonyms
  • 4-pyrimidinamine, 6-chloro-2-((phenylmethyl)thio)-
  • 6-chloro-2-(phenylmethylsulfanyl)pyrimidin-4-amine
  • 6-chloro-2-(phenylmethylthio)-4-pyrimidinamine
  • [2-(benzylthio)-6-chloro-pyrimidin-4-yl]amine
  • u-31,355
CAS Number(s)
  • 99983-92-3
InChIKey LGTXUPUULSWTNA-UHFFFAOYSA-N
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Elements H S N C Cl