2-(Isopropylsulfanyl)Benzoic Acid

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Properties Simple | Detailed

Formula C10H12O2S
IUPAC Name 2-isopropylsulfanylbenzoic acid
Molecular Mass 196.266 g·mol−1
Heat of Formation -328.3 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 238.66 Å 3
Surface Area 219.03 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(isopropylthio)benzoic acid
  • 2-propan-2-ylsulfanylbenzoic acid
InChIKey CHFNTLOTIFQVGQ-UHFFFAOYSA-N
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