Products for Research Use Only
RegisterLogin

Thymol Blue

CAT: 0862-GT9755-25gSize: 25 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0862-GT9755-25gSize:25 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
76-61-9
EC Number
200-973-3
MDL Number
MFCD00005869
HS Code
29349990
Purity
95.00%
Molecular Formula
C27H30O5S
Molecular Weight
466.6
Storage Conditions
+20°C
Hazardous Class
Not hazardous

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

Related Products

CatalogName
GT9699-500gThymol
GT9699-25gThymol
GT9699-100gThymol
GT9699-250gThymol
GT6465-25gThymol iodide
GT7988-1gXylenol Blue
GT6837-5gBromothymol Blue
GT8506-10gBromoxylenol Blue
GT2874-25gBromophenol Blue
GT7988-25gXylenol Blue

Alternative Products

CatalogName
HY-D0219-01Thymol blue
HY-D0219A-01Thymol Blue (sodium)
283134-01Methyl thymol blue
242346-01Thymol blue ACS
40140037-2Thymol Blue 0.04%
sc-206033AThymol Blue sodium salt
1746E 00025Methyl Thymol Blue AR

Popular Products