chempirical

Cresol red

C21H18O5SCAS 1733-12-6382.43 g/mol

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OHOSOOHO
PhenolSulfonate ester

Properties

Molecular formula
C21H18O5S
Molar mass
382.43 g/mol
Exact mass
382.0875 Da
Melting point
above 300 °C
logP
3.73Crippen estimate
Polar surface area
83.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Identifiers

CAS number
1733-12-6
SMILES
Cc1cc(C2(c3ccc(O)c(C)c3)OS(=O)(=O)c3ccccc32)ccc1O
InChIKey
OBRMNDMBJQTZHV-UHFFFAOYSA-N
InChI
InChI=1S/C21H18O5S/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26-21/h3-12,22-23H,1-2H3

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

Names and synonyms

12 names
  • Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-methyl-
  • o-Cresol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide
  • o-Cresolsulfonephthalein
  • Phenol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis[2-methyl-, S,S-dioxide
  • o-Toluenesulfonic acid, α-hydroxy-α,α-bis(4-hydroxy-m-tolyl)-, γ-sultone
  • 3H-2,1-Benzoxathiole, phenol deriv.
  • 4,4′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-methylphenol]
  • o-Cresol red
  • o-Cresolsulfonphthalein
  • 3′,3′′-Dimethylphenolsulfonephthalein
  • Cresolsulfophthalein
  • NSC 7224

Work with Cresol red

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

Cresol red sodium62625-29-079 % similar Pyrocatechol violet115-41-376 % similar Xylenol blue125-31-570 % similar Bromophenol red2800-80-869 % similar Chlorophenol red4430-20-069 % similar Bromocresol purple115-40-263 % similar Phenol red143-74-860 % similar Thymol blue76-61-959 % similar

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

Same formula

Metacresol purple2303-01-7

Elsewhere

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