[(4R)-4-(3-Hydroxyphenyl)-1,6-Dimethyl-2-Thioxo-1,2,3,4-Tetrahydro-5-Pyrimidinyl](Phenyl)Methanone

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Properties Simple | Detailed

Formula C19H18N2O2S
IUPAC Name [(6r)-6-(3-hydroxyphenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidin-5-yl]-phenyl-methanone
Molecular Mass 338.423 g·mol−1
Heat of Formation -34.1 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 403.38 Å 3
Surface Area 328.29 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • [(4r)-4-(3-hydroxyphenyl)-1,6-dimethyl-2-sulfanylidene-3,4-dihydropyrimidin-5-yl]-phenyl-methanone
  • [(4r)-4-(3-hydroxyphenyl)-1,6-dimethyl-2-sulfanylidene-3,4-dihydropyrimidin-5-yl]-phenylmethanone
  • [(4r)-4-(3-hydroxyphenyl)-1,6-dimethyl-2-thioxo-3,4-dihydropyrimidin-5-yl]-phenyl-methanone
  • [(4r)-4-(3-hydroxyphenyl)-1,6-dimethyl-2-thioxo-3,4-dihydropyrimidin-5-yl]-phenylmethanone
  • moy
InChIKey JGBBILLMZPWNFU-QGZVFWFLSA-N
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