chempirical

Phenol red sodium

C19H13NaO5SCAS 34487-61-1376.36 g/mol

Open in Covalent MOL file
O−HOOSOONa+
PhenolSulfonate ester

Properties

Molecular formula
C19H13NaO5S
Molar mass
376.36 g/mol
Exact mass
376.0381 Da
logP
2.73Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Identifiers

CAS number
34487-61-1
SMILES
[O-]c1ccc(C2(c3ccc(O)cc3)OS(=O)(=O)c3ccccc23)cc1.[Na+]
InChIKey
XXCXGDSGVBROKI-UHFFFAOYSA-N
InChI
InChI=1S/C19H14O5S.Na/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19;/h1-12,20-21H;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-, sodium salt (1:1)
  • Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide, monosodium salt
  • Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-, monosodium salt
  • 3H-2,1-Benzoxathiole, phenol deriv.
  • Phenolsulfonephthalein sodium
  • Phenol red, sodium salt

Work with Phenol red sodium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenol red143-74-878 % similar Bromophenol blue sodium salt33551-92-755 % similar Cresol red sodium62625-29-054 % similar Pyrocatechol violet115-41-354 % similar Metacresol purple2303-01-751 % similar Cresol red1733-12-650 % similar Bromophenol red2800-80-850 % similar Chlorophenol red4430-20-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook