fluorescein isothiocyanate

fluorescein isothiocyanate

CAS: 3326-32-7

Formula: C21H11NO5S

SMILES: OC1=CC2=C(C=C1)C1(OC(=O)C3=CC(=CC=C13)N=C=S)C1=CC=C(O)C=C1O2

IUPAC: 3',6'-dihydroxy-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

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

Composition: C (64.78%), H (2.85%), N (3.60%), O (20.54%), S (8.23%)

Molar Mass: 389.38

Atom Count: 39

Heavy Atom Count: 28

Properties

Properties

Common Names	5-fitc; F5itc; FITC; fitc isomer 1; fluorescein 5 isothiocyanate; fluorescein isothiocyanate; fluorescein isothiocyanate isomer 1; fluorescein-5-isothiocyanat; fluoreszein-5-isothiocyanat
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	389.035793632
Formal Charge	0
FSP3	0.05
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	MHMNJMPURVTYEJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.28
Topological Polar Surface Area	88.35
Polarizability	40.1
Ring Count	5
Rotatable Bond Count	1

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