Thymol Blue

Molecule SVG Image

Properties Simple | Detailed

Formula C27H30O5S
IUPAC Name 4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxobenzo[c]oxathiol-3-yl]-5-methyl-2-propan-2-ylphenol
Molecular Mass 466.589 g·mol−1
Heat of Formation -787.6 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 554.89 Å 3
Surface Area 413.39 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[3-(4-hydroxy-2-methyl-5-propan-2-yl-phenyl)-1,1-dioxo-benzo[c][1,2]oxathiol-3-yl]-5-methyl-2-propan-2-yl-phenol
  • 4-[3-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-1,1-diketo-benzo[c]oxathiol-3-yl]-2-isopropyl-5-methyl-phenol
  • 4-[3-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-1,1-dioxo-benzo[c]oxathiol-3-yl]-2-isopropyl-5-methyl-phenol
  • 4-[3-(4-hydroxy-5-isopropyl-2-methylphenyl)-1,1-dioxo-3-benzo[c]oxathiolyl]-2-isopropyl-5-methylphenol
  • phenol, 4,4'-(1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)-
  • phenol, 4,4'-(3h-2, {1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-,} s, s-dioxide
  • phenol, 4,4'-(3h-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)-, s,s-dioxide
  • phenol, 4,4'-(3h-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, s,s-dioxide
  • thymol, 6,6'-(3h-2, 1-benzoxathiol-3-ylidene)di-, s,s-dioxide
  • thymol, 6,6'-(3h-2,1-benzoxathiol-3-ylidene)di-, s,s-dioxide
  • thymolsulfonephalein
  • thymolsulfonephthalein
  • thymolsulfophthalein
  • thymolsulphonphthalein
  • thymosulfonphthalein
CAS Number(s)
  • 18611-66-0
  • 2877-93-2
  • 76-61-9
InChIKey PRZSXZWFJHEZBJ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O