2-Methyl-1(2H)-Isoquinolinethione

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Properties Simple | Detailed

Formula C10H9NS+
IUPAC Name 2-methylisoquinoline-1-thione
Molecular Mass 175.250 g·mol−1
Heat of Formation 223.1 ± 16.7 kJ·mol−1
Dipole Moment 5.06 ± 1.08 D
Volume 206.91 Å 3
Surface Area 198.66 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry Cs
Synonyms
  • 1(2h)-isoquinolinethione, 2-methyl-
  • 2-methyl-1(2h)-thioisoquinolone
  • 2-methyl-1-isoquinolinethione
  • ap-402/41884925
CAS Number(s)
  • 14945-74-5
InChIKey IEXYLQOPBXUDSK-UHFFFAOYSA-N
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Elements H S C N