1-(2-{[4-Chloro-5-(~18~F)Fluoro-2-Methylphenyl]Sulfanyl}Phenyl)-N,N-Dimethylmethanamine

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Properties Simple | Detailed

Formula C16H17ClFNS
IUPAC Name 1-[2-(4-chloro-5-fluoro-2-methyl-phenyl)sulfanylphenyl]-n,n-dimethyl-methanamine
Molecular Mass 308.832 g·mol−1
Heat of Formation -61.4 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 371.35 Å 3
Surface Area 310.61 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((2-amino-4-chloro-5-[18f]fluorophenyl)thio)-n,n-dimethylbenzenmethanamine
  • [18f]acf
InChIKey XPJCWJSVPBMPOX-SQZVAGKESA-N
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Elements C F H Cl N S