Thymol blue

CAS Registry Number®

76-61-9

CAS Name

Thymol blue

Molecular Formula

C27H30O5S

Molecular Mass

466.59

Cite this Page

Thymol blue.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=76-61-9 (retrieved 2024-11-21) (CAS RN: 76-61-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    223 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

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

InChIKey=PRZSXZWFJHEZBJ-UHFFFAOYSA-N

SMILES

CC=1C(C2(C=3C(S(=O)(=O)O2)=CC=CC3)C4=CC(C(C)C)=C(O)C=C4C)=CC(C(C)C)=C(O)C1

Canonical SMILES

O=S1(=O)OC(C2=CC(=C(O)C=C2C)C(C)C)(C3=CC(=C(O)C=C3C)C(C)C)C=4C=CC=CC41

Other Names for this Substance

  • Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-
  • Thymolsulfonephthalein
  • Thymol, 6,6′-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide
  • Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, S,S-dioxide
  • 3H-2,1-Benzoxathiole, phenol deriv.

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Deleted or Replaced CAS Registry Numbers

2877-93-2, 18611-66-0, 313494-17-6, 354556-94-8, 384814-32-8, 400864-47-3, 405271-03-6, 551921-90-5, 672309-78-3, 720671-81-8, 264233-99-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration