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



Compound number:
MolPort-004-285-554
CAS number: 76-61-9
IUPAC:
3,3-bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-3H-2,1λ⁶-benzoxathiole-1,1-dione
IUPAC traditional:
thymol blue
SMILES:
CC(C)c1cc(c(C)cc1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C(C)C)c(O)cc1C
InChI key:
PRZSXZWFJHEZBJ-UHFFFAOYSA-N
Molecular formula:
C27H30O5S
Molecular weight: 466.59
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-004-285-554
CAS number: 76-61-9

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000003860919
MFCD00005869
3,3-bis[4-hydroxy-2-methyl-5-(methylethyl)phenyl]benzo[c]1,2-oxathiolane-1,1-d ione
3,3-bis[4-hydroxy-2-methyl-5-(methylethyl)phenyl]benzo[c]1,2-oxathiolene-1,1-d ione
3,3-Bis(4-hydroxy-5-isopropyl-2-methylphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
-3H-benzo[c][1,2]oxathiole 1,1-dioxide
4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-isopropyl-5-methylphenol)
4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis[5-methyl-2-(propan-2-yl)phenol]
Phenol,4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-
Thymol Blue

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

Calculated Properties
Molecular formula: C27H30O5S
Molecular weight: 466.59

Other

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