Bromthymol blue sodium
Properties
- Molecular formula
- C27H27Br2NaO5S
- Molar mass
- 646.37 g/mol
- Exact mass
- 643.9844 Da
- logP
- 7.12Crippen estimate
- Polar surface area
- 83.8 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 4
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
34722-90-2SMILES
Cc1c(Br)c([O-])c(C(C)C)cc1C1(c2cc(C(C)C)c(O)c(Br)c2C)OS(=O)(=O)c2ccccc12.[Na+]InChI
The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.
Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-, sodium salt (1:1)
- Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-, S,S-dioxide, monosodium salt
- Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-, monosodium salt
- 3H-2,1-Benzoxathiole, phenol deriv.
- Bromothymol blue sodium salt
Work with Bromthymol blue sodium
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 green76-60-862 % similar
Methylthymol blue1945-77-358 % similar
Thymol blue sodium salt62625-21-255 % similar
Bromophenol blue sodium salt33551-92-752 % similar
Thymol blue76-61-952 % similar
Bromocresol purple sodium62625-30-351 % similar
Phenol, 4,4′-(2,2-dioxido-3H-1,2-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, sodium salt (1:1)62625-32-547 % similar
Eriochrome cyanine R3564-18-945 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.