Pyrocatechol violet

C₁₉H₁₄O₇SCAS 115-41-3386.37 g/mol

Open in Covalent MOL file

Phenol Sulfonate ester

Properties

Molecular formula: C₁₉H₁₄O₇S
Molar mass: 386.37 g/mol
Exact mass: 386.0460 Da
Melting point: 211 °C (decomposes)
logP: 2.52Crippen estimate
Polar surface area: 124.3 Å²
H-bond donors / acceptors: 4 / 7
Rotatable bonds: 2

Identifiers

CAS number

115-41-3

SMILES

O=S1(=O)OC(c2ccc(O)c(O)c2)(c2ccc(O)c(O)c2)c2ccccc21

InChIKey

RRRCKIRSVQAAAS-UHFFFAOYSA-N

InChI

InChI=1S/C19H14O7S/c20-14-7-5-11(9-16(14)22)19(12-6-8-15(21)17(23)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,20-23H

Weigh it out

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

Names and synonyms

13 names · show all

1,2-Benzenediol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis-
Pyrocatechol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide
1,2-Benzenediol, 4,4′-(3H-2,1-benzoxathiol-3-ylidene)bis-, S,S-dioxide
3H-2,1-Benzoxathiole, 1,2-benzenediol deriv.
4,4′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[1,2-benzenediol]
3H-2,1-Benzoxathiole, 3,3-bis(3,4-dihydroxyphenyl)-, 1,1-dioxide
PKF
Catechol violet
Pyrocatechin sulfonephthalein
Pyrocatechol sulfonephthalein
Pyrocatechin violet
NSC 8805
3,3-Bis(3,4-dihydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide

Work with Pyrocatechol violet

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 red1733-12-676 % similar Bromophenol red2800-80-876 % similar Chlorophenol red4430-20-076 % similar Phenol red143-74-867 % similar Cresol red sodium62625-29-061 % similar Bromophenol blue115-39-959 % similar Iodophenol blue4430-24-459 % similar Xylenol blue125-31-558 % similar

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

Elsewhere

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