Products 76-61-9

CAS 76-61-9 appears in our catalog under these names: Thymol blue, Thymol Blue, ACS , Thymol Blue , Thymol Blue, 95.00%, Thymol Blue. Offered by: GLPBio, Thermo Scientific (Alfa Aesar), Chemat, TCI, Biosynth. Available pack sizes: 100g, 2g, 10g, 50g, 25g, 5g, 1g, 1kg.

Structural formula: {0} (CAS {1})

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) is a chemical compound with the molecular formula C27H30O5S and a molecular weight of 466.6 g/mol. 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. InChIKey: PRZSXZWFJHEZBJ-UHFFFAOYSA-N.

Identity
Molecular formulaC27H30O5S
Molecular weight466.6 g/mol
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
InChIKeyPRZSXZWFJHEZBJ-UHFFFAOYSA-N
SMILESCC1=CC(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O

Computed by PubChem (NCBI)