4,4'-(1,1-Dioxido-3H-2,1-Benzoxathiole-3,3-Diyl)Bis(3-Methylphenol)

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Properties Simple | Detailed

Formula C21H18O5S
IUPAC Name 4-[3-(4-hydroxy-2-methyl-phenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methyl-phenol
Molecular Mass 382.430 g·mol−1
Heat of Formation -614.8 ± 16.7 kJ·mol−1
Dipole Moment 6.50 ± 1.08 D
Volume 421.62 Å 3
Surface Area 336.97 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 3-cresol purple
  • 4-[3-(4-hydroxy-2-methyl-phenyl)-1,1-diketo-benzo[c]oxathiol-3-yl]-3-methyl-phenol
  • 4-[3-(4-hydroxy-2-methyl-phenyl)-1,1-dioxo-benzo[c][1,2]oxathiol-3-yl]-3-methyl-phenol
  • 4-[3-(4-hydroxy-2-methyl-phenyl)-1,1-dioxo-benzo[c]oxathiol-3-yl]-3-methyl-phenol
  • 4-[3-(4-hydroxy-2-methylphenyl)-1,1-dioxo-3-benzo[c]oxathiolyl]-3-methylphenol
  • 4-[3-(4-hydroxy-2-methylphenyl)-1,1-dioxobenzo[c]oxathiol-3-yl]-3-methylphenol
  • cresol purple
  • m-cresol purple
  • m-cresol, 4,4'-(3h-2,1-benzoxathiol-3-ylidene)di-, s,s-dioxide
  • m-cresol, 4,4'-(3h-2,1-benzoxathiol-3-ylidene)di-, s,s-dioxide (8ci)
  • m-cresolsulfonephthalein
  • phenol, 4,4'-(1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene)bis(3-methyl-
  • phenol, 4,4'-(1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene)bis[3-methyl-
  • phenol, 4,4'-(3h-2,1-benzoxathiol-3-ylidene)bis(3-methyl-, s,s-dioxide (9ci)
  • phenol, 4,4'-(3h-2,1-benzoxathiol-3-ylidene)bis[3-methyl-, s,s-dioxide
CAS Number(s)
  • 88492-48-2
  • 2303-01-7
  • 2877-89-6
InChIKey OLQIKGSZDTXODA-UHFFFAOYSA-N
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