1-Benzyl-2-Thioxotetrahydro-4(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C11H12N2OS
IUPAC Name 1-benzyl-2-thioxo-hexahydropyrimidin-4-one
Molecular Mass 220.291 g·mol−1
Heat of Formation -14.6 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 259.99 Å 3
Surface Area 237.6 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(benzyl)-2-thioxo-hexahydropyrimidin-4-one
  • 1-(phenylmethyl)-2-sulfanylidene-1,3-diazinan-4-one
  • 1-(phenylmethyl)-2-thioxo-4-hexahydropyrimidinone
  • 1-(phenylmethyl)-2-thioxo-hexahydropyrimidin-4-one
  • 1-benzyl-2-thio-5,6-dihydrouracil
  • 1-benzyl-2-thioxo-tetrahydro-pyrimidin-4-one
  • 4(1h)-pyrimidinone, tetrahydro-1-(phenylmethyl)-2-thioxo-
  • bas 00404062
CAS Number(s)
  • 19341-60-7
InChIKey ARIFADGVPRWULM-UHFFFAOYSA-N
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