(2-Amino-4,5,6,7-Tetrahydro-1-Benzothien-3-Yl)(4-Chlorophenyl)Methanone

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Properties Simple | Detailed

Formula C15H14ClNOS
IUPAC Name (2-amino-4,5,6,7-tetrahydrobenzothiophen-3-yl)-(4-chlorophenyl)methanone
Molecular Mass 291.796 g·mol−1
Heat of Formation -63.8 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 324.94 Å 3
Surface Area 286.45 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-chlorophenyl)methanone
  • (2-amino-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl)-(4-chloro-phenyl)-methanone
  • 2-amino-3-(4-chlorobenzoyl)-5,6,7,8-tetrahydrobenzothiophene
  • bas 01842965
  • oprea1_077736
  • oprea1_104969
  • t62
InChIKey OTZVBZFYMFTYKH-UHFFFAOYSA-N
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