3-Chloro Thioanisole

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Properties Simple | Detailed

Formula C7H7ClS
IUPAC Name 1-chloro-3-methylsulfanyl-benzene
Molecular Mass 158.648 g·mol−1
Heat of Formation 47.8 ± 16.7 kJ·mol−1
Dipole Moment 0.91 ± 1.08 D
Volume 179.34 Å 3
Surface Area 179.54 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-chloro-3-(methylsulfanyl)benzene
  • 1-chloro-3-(methylthio)benzene
  • 1-chloro-3-methylsulfanylbenzene
  • 3-chlorophenyl methyl sulfide
  • 3-chlorothioanisole
  • 3-cpms
  • benzene, 1-chloro-3-(methylthio)-
CAS Number(s)
  • 4867-37-2
InChIKey PTGSDZVASWKUHK-UHFFFAOYSA-N
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Elements H S C Cl