chempirical

Fluorescein 6-isothiocyanate

C21H11NO5SCAS 18861-78-4389.38 g/mol

Open in Covalent MOL file
NSOHOHOOO
EsterEtherIsothiocyanateLactonePhenol

Properties

Molecular formula
C21H11NO5S
Molar mass
389.38 g/mol
Exact mass
389.0358 Da
logP
4.40Crippen estimate
Polar surface area
88.4 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
1

Identifiers

CAS number
18861-78-4
SMILES
C1=CC2=C(C=C1N=C=S)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
InChIKey
GTQFZXYECNSNNC-UHFFFAOYSA-N
InChI
InChI=1S/C21H11NO5S/c23-12-2-5-15-18(8-12)26-19-9-13(24)3-6-16(19)21(15)17-7-11(22-10-28)1-4-14(17)20(25)27-21/h1-9,23-24H

Weigh it out

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

Work with Fluorescein 6-isothiocyanate

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

Protein hydrolyzates, yeast100684-36-466 % similar Fluorescein2321-07-563 % similar 6-Amino-3′,6′-dihydroxyspiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one51649-83-362 % similar 6-Carboxyfluorescein3301-79-960 % similar 5-Aminofluorescein3326-34-956 % similar 5-Fam76823-03-554 % similar Carboxyfluorescein succinimidyl ester92557-81-854 % similar 4,5,6,7-Tetrachlorofluorescein6262-21-147 % similar

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

Same formula

Fluorescein 5-isothiocyanate3326-32-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook