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Molecule record

4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenol

C27H30O5S

466.60 g/mol

Loading structure

Molecular properties

Formula
C27H30O5S
Molar mass
466.60 g·mol−1
Exact mass
466.1814 Da
13
PubChem CID
65565

Functional groups

Alkane / alkyl carbon
Aromatic ring
Phenol

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 200-973-3
  • 3,3-Bis(4-hydroxy-5-isopropyl-2-methylphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
  • 76-61-9
  • 8YB4804L4M
  • CHEMBL5427167
  • DTXCID4047832
  • DTXSID5058800
  • MFCD00005869
Show all 24 synonyms
  • NSC-11238
  • NSC11238
  • 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'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-
  • RefChem:189864
  • Thymol Bleu
  • Thymol blue
  • ThymolBlue
  • Thymolblau
  • Thymolsulfonephalein
  • Thymolsulfonephthalein
  • Thymolsulfonphthalein
  • Thymolsulfophthalein
  • Thymolsulphonphthalein
  • Thymosulfonphthalein

Structure identifiers

Canonical SMILES
Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OS(=O)(=O)c2ccccc21
Isomeric SMILES
CC1=CC(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O
InChI
InChI=1S/C27H30O5S/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6/h7-16,28-29H,1-6H3
InChIKey
PRZSXZWFJHEZBJ-UHFFFAOYSA-N
PubChem CID
65565

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenol; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record