(4S)-4-(3-Hydroxyphenyl)-2-Thioxo-2,3,4,6,7,8-Hexahydro-5(1H)-Quinazolinone

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Properties Simple | Detailed

Formula C14H14N2O2S
IUPAC Name (4s)-4-(3-hydroxyphenyl)-2-thioxo-1,3,4,6,7,8-hexahydroquinazolin-5-one
Molecular Mass 274.338 g·mol−1
Heat of Formation -167.9 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 313.46 Å 3
Surface Area 279.41 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 1.97 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-(3-hydroxyphenyl)-2-sulfanylidene-1,3,4,6,7,8-hexahydroquinazolin-5-one
  • (4s)-4-(3-hydroxyphenyl)-2-thioxo-1,3,4,6,7,8-hexahydroquinazolin-5-one
InChIKey BJTGVSGWTIUCSM-ZDUSSCGKSA-N
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