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Product No: AA1349

Thymol Blue, Lab Grade

Name: Thymol Blue
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

76-61-9

Molecular Weight

466.59

Formula

C27H30O5S

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About this item

IUPAC name	4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenol
canonical 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
inchi key	PRZSXZWFJHEZBJ-UHFFFAOYSA-N
molecular formula	C27H30O5S
synonyms	Thymol blue 76-61-9 Thymolsulfonephthalein Thymolsulfophthalein Thymosulfonphthalein

Computed Properties

Molecular Weight:	466.6 g/mol
XLogP3:	6
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	4
Exact Mass:	466.18139523 g/mol
Monoisotopic Mass:	466.18139523 g/mol
Topological Polar Surface Area:	92.2 Å²
Heavy Atom Count:	33
Formal Charge:	0
Complexity:	751
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Bromophenol Blue

Bromocresol green

Phenol red

Thymolphthalein

m-Cresol purple

Tetrabromophenolphthalein

Bromothymol blue

Bromocresol purple

Xylenol Blue

Thymol blue

Chlorophenol red

Bromochlorophenol blue

Cresol red

Pyrocatechol violet

1,1-Bis(3-bromo-4-hydroxy-phenyl)benzo[e]isobenzofuran-3-one

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%)
precautionary statement codes	P264, P270, P301+P317, P330, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
hazards summary	Dust may be irritating.

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About this item

Documentation

Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: AA1349

Thymol Blue, Lab Grade

Product No: AA1349

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

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Certificate of Analysis

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Product No: AA1349

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?