4-Bromothioanisole

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Properties Simple | Detailed

Formula C7H7BrS
IUPAC Name 1-bromo-4-methylsulfanyl-benzene
Molecular Mass 203.099 g·mol−1
Heat of Formation 103.5 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 186.69 Å 3
Surface Area 185.51 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-bromo-4-(methylthio)benzene
  • 1-bromo-4-methylsulfanylbenzene
  • 4-bromophenyl methyl sulfide
  • 4-bromophenyl methyl sulphide
  • benzene, 1-bromo-4-(methylthio)-
  • methyl 4-bromophenylsulfide
  • p-bromo(methylthio)benzene
  • p-bromophenyl methyl sulfide
  • sr-01000637437-1
  • sulfide, p-bromophenyl methyl
  • sulfide, p-bromophenyl methyl (8ci)
CAS Number(s)
  • 104-95-0
InChIKey YEUYZNNBXLMFCW-UHFFFAOYSA-N
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Elements H S C Br