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Thymol blue

CAT: 0013-GTR19287006-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19287006-01Size:50 mg
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Description
Thymol Blue sodium salt is a dual-range pH indicator, transitioning from red to yellow between pH 1.2-2.8 and from yellow to blue between pH 8.0-9.6. It is used in various analytical, biochemical, and microbiological assays for endpoint determination in both in vitro solutions and histology. Store protected from light.
CAS Number
76-61-9
Field of Research
Pharmacology & Drug Discovery
Molecular Weight
466.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Thymol Blue

RN given refers to parent cpd

CAS Number76-61-9
PubChem CID65565
IUPAC Name4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenol
Molecular FormulaC27H30O5S
Molecular Weight466.6
XLogP6
Topological Polar Surface Area92.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity751
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
Chemical Structure
2D Structure
2D structure of Thymol Blue
CAS: 76-61-9
CID: 65565
Formula: C27H30O5S
MW: 466.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.6
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass466.18139523
Monoisotopic Mass466.18139523
Topological Polar Surface Area92.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity751
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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