Fluorescein 5-isothiocyanate

C21H11NO5SCAS 3326-32-7389.38 g/mol

OOOHOHONS
EsterEtherIsothiocyanateLactonePhenol

Properties

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

Identifiers

CAS number
3326-32-7
SMILES
O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(N=C=S)cc21
InChIKey
MHMNJMPURVTYEJ-UHFFFAOYSA-N
InChI
InChI=1S/C21H11NO5S/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21/h1-9,23-24H

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

Names and synonyms

11 names
  • Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-dihydroxy-5-isothiocyanato-
  • Fluorescein, 5-isothiocyanato-
  • 3′,6′-Dihydroxy-5-isothiocyanatospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one
  • 5-Isothiocyanatofluorescein
  • Fluorescein isothiocyanate isomer I
  • Fluorescein isothiocyanate isomer 1
  • Fluoroscein-5-isothiocyanate
  • FITC isomer I
  • Fitc isomer 1
  • 4-Isothiocyanatofluorescein
  • 3′,6′-Dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9′-xanthene]-1-one

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Similar compounds

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

Same formula

Elsewhere