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Thymol Blue

Catalog Number DYE-INT-0222
CAS Number 76-61-9
Structure
Synonyms 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(5-methyl-2-(1-methylethyl)-pheno
IUPAC Name 4-[3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-5-methyl-2-propan-2-ylphenol
Molecular Weight 466.59 g/mol
Molecular Formula C27H30O5S
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
Boiling Point 539.5 °C
Melting Point 221-224 °C
Purity 95%
Density 1.14 g/ml
Appearance Powder
Isomeric 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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