Bromothymol blue
Properties
- Molecular formula
- C27H28Br2O5S
- Molar mass
- 624.38 g/mol
- Exact mass
- 622.0024 Da
- Melting point
- 201 °C
- logP
- 7.50Crippen estimate
- Polar surface area
- 83.8 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 4
Hazards
Warning
- H302 Harmful if swallowed11.1% of notifiers
- H315 Causes skin irritation11.1% of notifiers
- H319 Causes serious eye irritation11.1% of notifiers
Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
76-59-5SMILES
Cc1c(C2(c3cc(C(C)C)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(C(C)C)c(O)c1BrInChIKey
NUHCTOLBWMJMLX-UHFFFAOYSA-NInChI
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,1-6H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-
- Thymol, 6,6′-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-, S,S-dioxide
- Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-, S,S-dioxide
- 3H-2,1-Benzoxathiole, phenol deriv.
- 4,4′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)phenol]
- 3,3′-Dibromothymolsulfonphthalein
- Dibromothymolsulfophthalein
- Bromthymol blue
- 3,3′-Dibromothymolsulfophthalein
- NSC 7819
- Bromothymolsulfonephthalein
Work with Bromothymol blue
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Bromocresol green76-60-875 % similar
Thymol blue76-61-961 % similar
Methylthymol blue1945-77-357 % similar
Thymol blue sodium salt62625-21-252 % similar
Bromophenol blue115-39-951 % similar
Bromopyrogallol red16574-43-951 % similar
Bromocresol purple115-40-251 % similar
Bromochlorophenol blue2553-71-148 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds