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Home/Compounds/CAS 76-61-9
Formula C27H30O5SMW 466.6Research-use catalog entryCOA/SDS by request

Thymol Blue

CAS Number: 76-61-9

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Loading RDKit molecule structure...
InChIKey: PRZSXZWFJHEZBJ-UHFFFAOYSA-NC27H30O5S | MW 466.6

Chemical Absolute Identifiers

CAS Number

76-61-9

PubChem CID

65565

Molecular Formula

C27H30O5S

Molecular Weight

466.6 g/mol

Exact Mass

466.181395

InChIKey

PRZSXZWFJHEZBJ-UHFFFAOYSA-N

IUPAC Name

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

SMILES String

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

Physical Properties

Melting Point

223.0 °C

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Thymol Blue (CAS 76-61-9) is listed in the Advanced Chemicals portfolio, with molecular formula C27H30O5S and molecular weight 466. 60 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Organic Building BlocksSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Cyclin-dependent kinase 2 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Cyclin-dependent kinase 2

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.54

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

  • Keep container tightly closed and dry.
  • Store in a well-ventilated place.
  • Avoid contact with skin and eyes.

PPE

Respiratory protection if needed

First Aid

  • Do not give anything to an unconscious person.
  • Rinse mouth with water.

Stability / Reactivity

  • Reactivity and reaction.
  • Carbon monoxide, carbon dioxide, sulfur oxides.

Disposal

  • Waste product: Dispose of remaining and non-recyclable solutions to a licensed company.
  • Contact a professional institution with a waste disposal license to handle this substance.
Show additional safety reference fields

Fire Fighting

  • If necessary, wear a self-contained breathing apparatus for firefighting.

Accidental Release

  • Do not generate dust when collecting and disposing.
  • Sweep and shovel up.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

For supplier-issued SDS or COA, submit a documentation request.

Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Thymol Blue

Names & Synonyms

ThymolsulfonephthaleinThymolsulfophthaleinThymolsulfonphthaleinThymosulfonphthaleinThymolsulphonphthalein
Show all synonyms
ThymolsulfonephaleinPhenol, 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-dioxidePhenol, 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-dioxideThymolBlueThymolblau3,3-Bis(4-hydroxy-5-isopropyl-2-methylphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxidePhenol,4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxideTimolo bluAzul TimolThymol BleuThymolblue indicator
External Identifiers
EC NUMBER: 200-973-3DSSTOX SUBSTANCE ID: DTXSID5058800CHEMBL ID: CHEMBL5427167UNII: 8YB4804L4MHMDB ID: HMDB0259055WIKIDATA ID: Q420396
Experimental Spectrum References
13C NMR Spectra1H NMR SpectraATR-IR SpectraFTIR Spectra — Sigma-Aldrich Co. LLC.
Literature & Patent References
DOI 10.1039/D4MD00511BAzo derivatives of monoterpenes as anti-<i>Helicobacter pylori</i> agents: from synthesis to structure-based target investigation.PMID 39493229Azo derivatives of monoterpenes as anti-<i>Helicobacter pylori</i> agents: from synthesis to structure-based target investigation.DOI 10.1021/acs.jmedchem.2c01731Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.PMID 36701569Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

Show non-linked catalog cues

Non-public related references

m-Cresol PurpleCAS 2303-01-7
Cresol RedCAS 1733-12-6
Bromocresol PurpleCAS 115-40-2
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-methyl-, sodium salt (1:1)CAS 62625-29-0
Chlorophenol redCAS 4430-20-0

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 2303-01-7m-Cresol PurpleCAS 1733-12-6Cresol RedCAS 115-40-2Bromocresol PurpleCAS 62625-29-0Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-methyl-, sodium salt (1:1)CAS 4430-20-0Chlorophenol redCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

RFQ questions for CAS 76-61-9

What are the key identifiers for Thymol Blue (CAS 76-61-9)?

Thymol Blue is identified by CAS 76-61-9, with molecular formula C27H30O5S, molecular weight 466.6, InChIKey PRZSXZWFJHEZBJ-UHFFFAOYSA-N.

Does CAS 76-61-9 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Cyclin-dependent kinase 2. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 76-61-9?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Thymol Blue?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 76-61-9 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

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