AG000E31

3326-32-7 | Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-5-isothiocyanato-

AG000E31

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CAS Number	3326-32-7
Catalog Number	AG000E31(AGN-PC-0R8TQS)
Chemical Name	Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-5-isothiocyanato-
EC Number	222-042-0
IUPAC Name	3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-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
InChI Key	MHMNJMPURVTYEJ-UHFFFAOYSA-N
MDL Number	MFCD00005063
Molecular Formula	C21H11NO5S
Molecular Weight	389.3807
SMILES	O=C1OC(C3=C(OC5=C4C=CC(O)=C5)C=C(O)C=C3)4C2=C1C=C(N=C=S)C=C2
UNII	I223NX31W9
Synonyms	5 Isothiocyanatofluorescein, 5-Isothiocyanatofluorescein, FITC, Fluorescein (5 or 6)-Isothiocyanate, Fluorescein 5 isothiocyanate, Fluorescein 5 isothiocyanate Hydrochloride, Fluorescein-5-isothiocyanate, Fluorescein-5-isothiocyanate Hydrochloride, Hydrochloride, Fluorescein-5-isothiocyanate, 3326-32-7, FITC, Fluorescein isothiocyanate isomer I, 5-isothiocyanatofluorescein, 5-FITC, fluorescein 5-isothiocyanate, FLUORESCEIN-5-ISOTHIOCYANATE, Fluorescein 5(6)-isothiocyanate, FITC isomer 1, MFCD00005063, UNII-I223NX31W9, CHEBI:37918, FITC ISOMER, F5ITC, EINECS 222-042-0, Fluorescein-5-isothiocyanat, Fluoreszein-5-isothiocyanat, 5-fluorescein isothiocyanate, 2-(6-Hydroxy-3-oxo-(3H)-xanthen-9-yl)-5-isothiocyanatobenzoic acid, 3',6'-dihydroxy-5-isothiocyanato-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one, C21H11NO5S, MHMNJMPURVTYEJ-UHFFFAOYSA-N, I223NX31W9, fluorescein isothiocyanate isomer 1, FLUORESCEIN ISOTHIOCYANATE, ISOMER 1, F-2999, F-3000, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-5-isothiocyanato-, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-5-isothiocyanato-, J-100155, 3',6'-dihydroxy-5-isothiocyanatospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, Fluorescein isothiocyanate isomer I, 90%, pure, Fluorescein isothiocyanate isomer I, >=97.5% (HPLC), FluoresceinisothiocyanateisomerI, FLUORESCEINISOTHIOCYANATE, 3',6'-dihydroxy-6-isothiocyanato-1-spiro[isobenzofuran-3,9'-xanthene]one, 3',6'-Dihydroxy-5-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6-isothiocyanato-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one, FITC CCelite®, PubChem5006, PubChem15927, AC1L2COI, 5-Fluoresceinisothiocyanate, Epitope ID:115575, DSSTox_CID_29368, DSSTox_RID_83483, DSSTox_GSID_49408, SCHEMBL71426, CHEMBL516313, Jsp006109, DTXSID4049408, Fluorescein isothiocyanate isomer, CTK8F9793, FITC; Fluorescein isothiocyanate, BIF4014, ZX-AFC001549, BCP04195, EX-A1778, ZINC3860454, Tox21_202818, CF-752, CF-754, AKOS015897625, ACM3326327, ACN-041265, AS04343, CS-3036, GS-6079, ACM27072453, Fluorescein 5-isothiocyanate,with isomers, NCGC00260364-01, BP-23367, BP-30030, Fluorescein isothiocyanate isomer I, 90%, HY-66019, M460, O274, SC-65772, AB1003669, CAS-27072-45-3, LS-184561, F0026, FT-0600599, FT-0626453, ST50826313, 2242-EP2277848A1, 2242-EP2280282A1, 2242-EP2284149A1, 2242-EP2287165A2, 2242-EP2287166A2, 2242-EP2292088A1, 2242-EP2292620A2, 2242-EP2295416A2, 2242-EP2298748A2, 2242-EP2311494A1, 2242-EP2314574A1, Fluorescein isothiocyanate isomer I CCelite®, 072F453, A818907, A821696, Fluorescein 5(6)-isothiocyanate, >=90% (HPLC), I14-18683, UNII-7BUU93N0HM component MHMNJMPURVTYEJ-UHFFFAOYSA-N, 3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one, 12,15-dihydroxy-3-oxospiro[hydroisobenzofuran-1,9'-xanthene]-5-isothiocyanate, 3',6'-dihydroxy-5(6)-isothiocyanato-3H -spiro[isobenzofuran-1,9'-xanthen]-3-one, 3',6'-Dihydroxy-5(or 6)-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one, Fluorescein isothiocyanate isomer I, suitable for protein labeling, >=90% (HPLC), powder, Fluorescein isothiocyanate isomer I-Celite(R), suitable for fluorescent labeling techniques, Fluorescein 5(6)-isothiocyanate, BioReagent, suitable for fluorescence, mixture of 2 components, >=90% (HPLC), Fluorescein isothiocyanate, FITC-Celite(R), FITC-I, FITC ISOMER I, fluorescein 6-isothiocyanate, FITC 'ISOMER I', 5 Isothiocyanatofluorescein, UNII-7BUU93N0HM, Fluorescein 5 isothiocyanate, Fluorescein-4-Isothiocyanate, fluorescein -5-isothiocyanate, 27072-45-3, 5(6)-FITC, 5-Fluorescein isothiocyanateisomer, CID18730, Fluorescein-5(or 6)-isothiocyanate, C21-H11-N-O5-S, EINECS 248-207-7, Fluorescein Isothiocyanate, Isomer I, Fluorescein (5 or 6)-Isothiocyanate, Fluorescein 5-isothiocyanate isomer I, SPECTRACOMP(TM) FITC PARTICLES, Fluorescein 5 isothiocyanate Hydrochloride, FLUORESCEIN ISOMER I ISOTHIOCYANATE, Fluorescein-5-isothiocyanate Hydrochloride, Hydrochloride, Fluorescein-5-isothiocyanate, 5-FLUORESCEIN ISOTHIOCYANATE ISOMER I, FLUORESCEIN-5-ISOTHIOCYANATE ISOMER I, Fluorescein isothiocyanate isomer I-Celite(R), FLUORESCEIN 5-ISOTHIOCYANATE, ISOMER 1, D016650, Fluorescein isothiocyanate isomer I, 90% - 1G 1g, Fluorescein isothiocyanate isomer I, 95% - 1G 1g, 2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-5-isothiocyanato-benzoic acid, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-5(or 6)-isothiocyanato-, 3012-71-3, FITC (fluorescein-5-isothiocyanate, fluorescein isothiocyanate isomer I), 3',6'-dihydroxy-5(or 6)-isothiocyanatospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one, 3',6'-dihydroxy-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthene]-3-one, Spiro[isobenzofuran-1(3H),9'-(9H)xanthen]-3-one, 3',6'-dihydroxy-5-isothiocyanato-,

Complexity	668
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	389.036g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	389.381g/mol
Monoisotopic Mass	389.036g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	120A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number