Bromocresol purple sodium
Properties
- Molecular formula
- C21H15Br2NaO5S
- Molar mass
- 562.20 g/mol
- Exact mass
- 559.8905 Da
- logP
- 4.87Crippen estimate
- Polar surface area
- 83.8 Ų
- H-bond donors / acceptors
- 2 / 5
- Rotatable bonds
- 2
Identifiers
CAS number
62625-30-3SMILES
Cc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc23)cc(Br)c1[O-].[Na+]InChIKey
NXRPSDAVWYMYKX-UHFFFAOYSA-NInChI
InChI=1S/C21H16Br2O5S.Na/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21;/h3-10,24-25H,1-2H3;Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-methyl-, sodium salt (1:1)
- Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-methyl-, S,S-dioxide, monosodium salt
- Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-methyl-, monosodium salt
- 3H-2,1-Benzoxathiole, phenol deriv.
Work with Bromocresol purple sodium
Similar compounds
Bromocresol purple115-40-281 % similar
Bromophenol blue sodium salt33551-92-780 % similar
Eriochrome cyanine R3564-18-966 % similar
Bromophenol blue115-39-966 % similar
Bromochlorophenol blue2553-71-159 % similar
Cresol red sodium62625-29-056 % similar
Bromophenol red2800-80-855 % similar
Xylenol orange tetrasodium salt3618-43-755 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds