5,6,7,8-Tetrahydro[1]Benzothieno[2,3-D]Pyrimidin-4-Ol

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Properties Simple | Detailed

Formula C10H10N2OS
IUPAC Name 5,6,7,8-tetrahydro-3h-benzothiopheno[2,3-d]pyrimidin-4-one
Molecular Mass 206.264 g·mol−1
Heat of Formation -61.6 ± 16.7 kJ·mol−1
Dipole Moment 0.34 ± 1.08 D
Volume 228.16 Å 3
Surface Area 213.61 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • (1)benzothieno(2,3-d)pyrimidin-4(1h)-one, 5,6,7,8-tetrahydro-
  • 5,6,7,8-tetrahydro-(1)benzothieno(2,3-d)pyrimidin-4(1h)-one
  • 5,6,7,8-tetrahydro-3h-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
  • 5,6,7,8-tetrahydro-3h-benzothiopheno[3,2-e]pyrimidin-4-one
  • ah-034/04877061
  • bas 00435767
  • benzothieno[2,3-d]pyrimidin-4(3h)-one, 5,6,7,8-tetrahydro-
  • cbdive_004950
  • oprea1_037290
  • oprea1_129421
  • oprea1_667048
  • pirimido[4,5-b]benzothiophen-4(3h)-one, 5,6,7,8-tetrahydro-
CAS Number(s)
  • 14346-24-8
InChIKey NMMOEJUJKIXUQZ-UHFFFAOYSA-N
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