2-Isopropylsulfanylethynylbenzene

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Properties Simple | Detailed

Formula C11H12S
IUPAC Name 2-isopropylsulfanylethynylbenzene
Molecular Mass 176.278 g·mol−1
Heat of Formation 257.1 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 221.54 Å 3
Surface Area 210.58 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(isopropylthio)ethynylbenzene
  • 2-propan-2-ylsulfanylethynylbenzene
CAS Number(s)
  • 91211-37-9
InChIKey KIOAMNASOMVPPZ-UHFFFAOYSA-N
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Elements H S C