Skip to the beginning of the images gallery

Thymol blue sodium salt - reagent grade, high purity , CAS No.62625-21-2

COA

Grade & Purity:

Cas Number: 62625-21-2
Molecular Weight: 488.57
Beilstein Registry Number: 3861515
EC Number: 263-650-6
MDL number: MFCD00151093
PubChem CID: 23692293
PubChem SID: 488200559

In stock

Item Number

T106064

Grouped product items
SKU	Size	Availability	Price
T106064-1g	1g	10	$9.90
T106064-5g	5g	1	$19.90
T106064-25g	25g	7	$65.90
T106064-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$189.90

pH indicator.

View related series

Titration indicator (58)

Basic Description

Synonyms	Sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)phenolate) S,S-dioxide \| ThymolBluesodiumsalt \| D92222 \| AKOS027250855 \| Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)-, monosodium
Specifications & Purity	AR
Biochemical and Physiological Mechanisms	pH indicator with visual transition intervals of pH 1.2 (red) to pH 2.8 (yellow), and pH 8.0 (yellow) to pH 9.2 (blue).
Shipped In	Normal
Grade	AR
Note	Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzofurans
    - Subclass Benzofuranones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzofurans
Subclass	Benzofuranones
Intermediate Tree Nodes	Not available
Direct Parent	Benzofuranones
Alternative Parents	Phthalides Aromatic monoterpenoids Bicyclic monoterpenoids Phenylpropanes Benzoxathioles Cumenes Meta cresols Toluenes Phenoxides 1-hydroxy-2-unsubstituted benzenoids Organosulfonic acid esters Oxacyclic compounds Organic oxides Organic sodium salts Organooxygen compounds Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	P-cymene - Aromatic monoterpenoid - Benzofuranone - Bicyclic monoterpenoid - Monoterpenoid - Phthalide - Benzoxathiole - Cumene - Phenylpropane - M-cresol - Toluene - Phenoxide - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Organosulfonic acid ester - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic alkali metal salt - Oxacycle - Organic sodium salt - Organic salt - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488200559
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488200559
IUPAC Name	sodium;4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenolate
INCHI	InChI=1S/C27H30O5S.Na/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;/q;+1/p-1
InChIKey	BAVBEHWEOJMHDS-UHFFFAOYSA-M
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.[Na+]
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.[Na+]
WGK Germany	3
PubChem CID	23692293
Molecular Weight	488.57
Beilstein	3861515
Reaxy-Rn	7405682

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot Number	Certificate Type	Date	Item
F2427339	Certificate of Analysis	Jun 17, 2024	T106064
G2408611	Certificate of Analysis	Jun 17, 2024	T106064
F2427340	Certificate of Analysis	Jun 17, 2024	T106064
I1613033	Certificate of Analysis	Jan 22, 2024	T106064
H2222288	Certificate of Analysis	Sep 01, 2022	T106064
E2304298	Certificate of Analysis	Sep 01, 2022	T106064
E2304300	Certificate of Analysis	Apr 26, 2022	T106064

Chemical and Physical Properties

Melt Point(°C)	283-285°C
Molecular Weight	488.600 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	488.163 Da
Monoisotopic Mass	488.163 Da
Topological Polar Surface Area	95.000 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	795.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration