Thymol blue
Properties
- Molecular formula
- C27H30O5S
- Molar mass
- 466.59 g/mol
- Exact mass
- 466.1814 Da
- Melting point
- 223 °C (decomposes)
- logP
- 5.97Crippen estimate
- Polar surface area
- 83.8 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 4
Identifiers
CAS number
76-61-9SMILES
Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OS(=O)(=O)c2ccccc21InChIKey
PRZSXZWFJHEZBJ-UHFFFAOYSA-NInChI
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,1-6H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-
- Thymolsulfonephthalein
- Thymol, 6,6′-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide
- Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, S,S-dioxide
- 3H-2,1-Benzoxathiole, phenol deriv.
- 4,4′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)phenol]
- Thymolsulfophthalein
- NSC 11238
Work with Thymol blue
Similar compounds
Thymol blue sodium salt62625-21-281 % similar
Xylenol blue125-31-574 % similar
Bromothymol blue76-59-561 % similar
Metacresol purple2303-01-760 % similar
Cresol red1733-12-659 % similar
Thymolphthalein125-20-258 % similar
Pyrocatechol violet115-41-354 % similar
Bromthymol blue sodium34722-90-252 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds