C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
CAS: 3326-32-7
Name: 3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one
SMILES: C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

Molecular Processing

Molecular formula
C21H11NO5S
Molecular weight
389.39
Exact mass
389.0358
XLogP
4.4
TPSA
88.35
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
1
Heavy atoms
28
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
102.71

Supplementary Information

InChIKey: MHMNJMPURVTYEJ-UHFFFAOYSA-N
Synonyms
3326-32-75-FITCFLUORESCEIN-5-ISOTHIOCYANATEfluorescein 5-isothiocyanate5-isothiocyanatofluoresceinSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-5-isothiocyanato-CHEBI:37918DTXSID80892440I223NX31W9Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-5-isothiocyanato-5 IsothiocyanatofluoresceinFluorescein 5 isothiocyanateFluorescein 5 isothiocyanate HydrochlorideHydrochloride, Fluorescein-5-isothiocyanateRefChem:140896DTXCID3029368222-042-0FITCFluorescein isothiocyanate isomer IFluorescein 5(6)-isothiocyanate3',6'-dihydroxy-5-isothiocyanato-3H-spiro[isobenzofuran-1,9'-xanthen]-3-oneMFCD00005063fluorescein isothiocyanate isomer 13',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one2-(6-Hydroxy-3-oxo-(3H)-xanthen-9-yl)-5-isothiocyanatobenzoic acidFluorescein 5-Isothiocyanate, Isomer 1, 95%Fluorescein 5-Isothiocyanate, Isomer 1 (~90%)FITC ISOMER IFITC isomer 1FITC ISOMER
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