Tetramethylrhodamine-6-Isothiocyanate

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Properties Simple | Detailed

Formula C25H30N3O3S
IUPAC Name 2-[3-(dimethylamino)-6-dimethyliminio-2,4-dihydro-1h-xanthene-1,2,3,4,4a,8a,9,9a-octaid-9-yl]-4-isothiocyanato-benzoate
Molecular Mass 452.589 g·mol−1
Heat of Formation 23.2 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 502.41 Å 3
Surface Area 434.43 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-dimethylamino-6-dimethylazaniumylidene-9-xanthenyl)-4-isothiocyanatobenzoate
  • 2-(3-dimethylamino-6-dimethylazaniumylidene-xanthen-9-yl)-4-isothiocyanato-benzoate
  • 2-(3-dimethylamino-6-dimethylazaniumylidenexanthen-9-yl)-4-isothiocyanatobenzoate
  • tetramethylrhodamine isothiocyanate isomer- r
InChIKey OBYNJKLOYWCXEP-UHFFFAOYSA-N
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