Thymol blue

4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenol

CAS: 76-61-9

Molecular Formula	`C27H30O5S`
Molecular Weight	466.6 g/mol
LogP	6.0
Topological Polar Surface Area	92.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	466.1814
Heavy Atoms	33
Complexity	751.0

Chemical Identifiers

CAS Number	76-61-9
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`
InChIKey	`PRZSXZWFJHEZBJ-UHFFFAOYSA-N`

📖 Product Overview

Thymol blue (CAS: 76-61-9) is a chemical compound with molecular formula C27H30O5S and molecular weight 466.6 g/mol. Its IUPAC systematic name is 4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenol. LogP 6.0 Topological Polar Surface Area 92.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 466.1814 Heavy Atoms 33 Complexity 751.0 InChI Key: PRZSXZWFJHEZBJ-UHFFFAOYSA-N. 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.

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