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Thymol Blue (sodium)

CAT: 0804-HY-D0219A-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-D0219A-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Thymol Blue sodium is an acid-base indicator used to indicate changes in pH. Thymol Blue sodium fades from red to yellow at pH 1.2 to 2.8 and from yellow to blue at pH 8.0 to 9.6. Quantitative detection is achieved through the absorption peak shift (435 nm/596 nm) of the UV-visible spectrum. Thymol blue sodium can be fixed in a silica gel matrix through sol-gel technology to form a solid-state sensor for in-situ pH measurement in the marine environment and acid-base monitoring in the biomedical field[1][2].
CAS Number
62625-21-2
UNSPSC
12171500
Hazard Statement
H315, H319, H335
Target
Fluorescent Dye
Type
Dye Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/thymol-blue-sodium.html
Solubility
DMSO : 6.72 mg/mL (ultrasonic; adjust pH to 4 with 1 M HCl)
Smiles
[Na].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
Molecular Formula
C27H29NaO5S
Molecular Weight
488.57
Precautions
H315, H319, H335
References & Citations
[1]Huining Zhang, et al. Spectrophotometric pH measurements of surface seawater at in-situ conditions: absorbance and protonation behavior of thymol blue. Marine Chemistry, Volume 52, Issue 1,1996, Pages 17-25.|[2]2. Farid R. Zaggout, et al., Behavior of thymol blue analytical pH-indicator entrapped into sol–gel matrix, Materials Letters, Volume 60, Issues 29–30, 2006, Pages 3463-3467, ISSN 0167-577X.
Shipping Conditions
Room Temperature
Storage Conditions
RT, sealed storage, away from moisture and light
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

Sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)phenolate) S,S-dioxide
CAS Number62625-21-2
PubChem CID23692293
IUPAC Namesodium 4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenolate
Molecular FormulaC27H29NaO5S
Molecular Weight488.6
Topological Polar Surface Area95
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity795
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+]
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
Chemical Structure
2D Structure
2D structure of Sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)phenolate) S,S-dioxide
CAS: 62625-21-2
CID: 23692293
Formula: C27H29NaO5S
MW: 488.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass488.16333948
Monoisotopic Mass488.16333948
Topological Polar Surface Area95 Ų
Heavy Atom Count34
Formal Charge0
Complexity795
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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