3,3-bis[3-bromo-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-3H-2,1λ⁶-benzoxathiole-1,1-dione



Compound number:
MolPort-001-639-074
CAS number: 76-59-5
IUPAC:
3,3-bis[3-bromo-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-3H-2,1λ⁶-benzoxathiole-1,1-dione
IUPAC traditional:
bromothymol blue
SMILES:
CC(C)c1cc(c(C)c(Br)c1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C(C)C)c(O)c(Br)c1C
InChI key:
NUHCTOLBWMJMLX-UHFFFAOYSA-N
Molecular formula:
C27H28Br2O5S
Molecular weight: 624.38
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-001-639-074
CAS number: 76-59-5

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000003860915
MFCD00005872
2-bromo-4-3-(3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)-,-dioxido-3H-2,-benzoxathiol-3-yl-6-isopropyl-3-methylphenol
3,3-bis[3-bromo-4-hydroxy-2-methyl-5-(methylethyl)phenyl]benzo[c]1,2-oxathiole ne-1,1-dione
3',3''-Dibromothymolsulfonaphthalein
3,3'-Dibromothymolsulfonephthalein, Bromthymol blue, Bromthymol blau
4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[2-bromo-3-methyl-6-(propan-2-yl)phenol]
4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-bromo-6-isopropyl-3-methylphenol)
Bromothymol blue, ACS reagent, ??? 95% (Dye content)

InChI
InChI: 1S/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3
InChI key: NUHCTOLBWMJMLX-UHFFFAOYSA-N

Calculated Properties
Molecular formula: C27H28Br2O5S
Molecular weight: 624.38

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