3,4-Dihydro-1H-Isothiochromene

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Properties Simple | Detailed

Formula C9H10S
IUPAC Name isothiochromane
Molecular Mass 150.241 g·mol−1
Heat of Formation 76.0 ± 16.7 kJ·mol−1
Dipole Moment 1.58 ± 1.08 D
Volume 184.12 Å 3
Surface Area 178.7 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-2-benzothiopyran, 3,4-dihydro-
  • 3,4-dihydro-1h-2-benzothiopyran
  • isothiochroman
CAS Number(s)
  • 4426-75-9
InChIKey ZZQUQFZVCJWSER-UHFFFAOYSA-N
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Elements H S C