3′,6′-Bis(dimethylamino)-5-isothiocyanatospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one

CAS Registry Number®

20746-54-7

CAS Name

3′,6′-Bis(dimethylamino)-5-isothiocyanatospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one

Molecular Formula

C25H21N3O3S

Molecular Mass

443.52

Cite this Page

3′,6′-Bis(dimethylamino)-5-isothiocyanatospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20746-54-7 (retrieved 2025-01-07) (CAS RN: 20746-54-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H21N3O3S/c1-27(2)16-6-9-20-22(12-16)30-23-13-17(28(3)4)7-10-21(23)25(20)19-8-5-15(26-14-32)11-18(19)24(29)31-25/h5-13H,1-4H3

InChIKey

InChIKey=GKMSREGJMYNJMR-UHFFFAOYSA-N

SMILES

O=C1OC2(C=3C(OC=4C2=CC=C(N(C)C)C4)=CC(N(C)C)=CC3)C=5C1=CC(N=C=S)=CC5

Canonical SMILES

O=C1OC2(C3=CC=C(C=C3OC4=CC(=CC=C42)N(C)C)N(C)C)C5=CC=C(N=C=S)C=C15

Other Names for this Substance

  • Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-bis(dimethylamino)-5-isothiocyanato-
  • Fluoran, 3′,6′-bis(dimethylamino)-5-isothiocyanato-
  • 3′,6′-Bis(dimethylamino)-5-isothiocyanatospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one
  • 5-TRITC
  • Tetramethylrhodamine-5-isothiocyanate

Deleted or Replaced CAS Registry Numbers

68758-66-7

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