2-Chlorothiosanisole

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Properties Simple | Detailed

Formula C7H7ClS
IUPAC Name 1-chloro-2-methylsulfanyl-benzene
Molecular Mass 158.648 g·mol−1
Heat of Formation 49.2 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 177.21 Å 3
Surface Area 174.35 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
Synonyms
  • 1-chloro-2-(methylthio)benzene
  • 1-chloro-2-methylsulfanylbenzene
  • 2-chlorophenyl methyl sulfide
  • 2-chlorothioanisole
  • 2-cpms
  • benzene, 1-chloro-2-(methylthio)-
  • o-chlorotoluene-alpha-thiol
CAS Number(s)
  • 39718-00-8
  • 17733-22-1
InChIKey IHLDFHCSSCVPQW-UHFFFAOYSA-N
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Elements H S C Cl