Pentachloromethylthiobenzene

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Properties Simple | Detailed

Formula C7H3Cl5S
IUPAC Name 1,2,3,4,5-pentachloro-6-methylsulfanyl-benzene
Molecular Mass 296.429 g·mol−1
Heat of Formation -52.8 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 264.45 Å 3
Surface Area 236.31 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 1.42 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,3,4,5-pentachloro-6-(methylthio)benzene
  • 1,2,3,4,5-pentachloro-6-methylsulfanylbenzene
  • benzene, pentachloro(methylthio)-
  • benzene, pentachloro(methylthio)- (9ci)
  • methyl pentachlorophenyl sulfide
  • methyl-pentachlorophenylsulfide
  • methylthiopentachlorobenzene
  • pctas
  • pentachloro(methylthio)benzene
  • pentachlorophenyl methyl sulfide
  • pentachlorothioanisole
  • sulfide, methyl pentachlorophenyl
CAS Number(s)
  • 1825-19-0
InChIKey LGZZJTIUEJNNKV-UHFFFAOYSA-N
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Elements H S C Cl