Thioanisole

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Properties Simple | Detailed

Formula C7H8S
IUPAC Name methylsulfanylbenzene
Molecular Mass 124.203 g·mol−1
Heat of Formation 88.5 ± 16.7 kJ·mol−1
Dipole Moment 1.56 ± 1.08 D
Volume 157.02 Å 3
Surface Area 160.82 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry Cs
Synonyms
  • (1-thiaethyl)benzene
  • (methylthio)benzene
  • 1-phenyl-1-thiaethane
  • anisole, thio-
  • benzene, (methylthio)-
  • methyl phenyl sulfide
  • methyl phenyl sulphide
  • methyl phenyl thioether
  • methyl phenylsulfide
  • methylphenylsulfide
  • phenyl methyl sulfide
  • phenylthiomethane
  • sulfide, methyl phenyl
  • sulfide, methyl phenyl (6ci,8ci)
  • thioanisol
CAS Number(s)
  • 100-68-5
InChIKey HNKJADCVZUBCPG-UHFFFAOYSA-N
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Elements H S C