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

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Properties Simple | Detailed

Formula C11H11ClN2OS+
IUPAC Name 2-(chloromethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one
Molecular Mass 254.736 g·mol−1
Heat of Formation -120.2 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 270.29 Å 3
Surface Area 251.54 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • (1)benzothieno(2,3-d)pyrimidin-4(1h)-one, 5,6,7,8-tetrahydro-2-(chloromethyl)-
  • 2-(chloromethyl)-5,6,7,8-tetrahydro-3h-[1]benzothiolo[3,2-e]pyrimidin-4-one
  • 2-(chloromethyl)-5,6,7,8-tetrahydro-3h-benzothiopheno[3,2-e]pyrimidin-4-one
  • 2-chloromethyl-5,6,7,8-tetrahydro-3h-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
  • 2-chloromethyl-5,6,7,8-tetrahydrobenzo(b)thieno(2,3-d)pyrimidin-4(3h)-one
  • 5,6,7,8-tetrahydro-2-(chloromethyl)-(1)benzothieno(2,3-d)pyrimidin-4(1h)-one
  • ag-690/12892418
  • bas 01041677
  • enamine_004946
  • lm-1554
CAS Number(s)
  • 89567-03-3
InChIKey GDHMBNWVLWMONW-UHFFFAOYSA-N
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