3-Phenylpropanethiol

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Properties Simple | Detailed

Formula C9H12S
IUPAC Name 3-phenylpropane-1-thiol
Molecular Mass 152.257 g·mol−1
Heat of Formation 51.3 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 201.57 Å 3
Surface Area 200.76 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry Cs
Synonyms
  • benzenepropanethiol
CAS Number(s)
  • 24734-68-7
InChIKey IUSDGVJFDZRIBR-UHFFFAOYSA-N
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Elements H C S