Tetramethylrhodamine-6-Isothiocyanate

Molecule SVG Image

Properties Simple | Detailed

Formula C25H21N3O3S
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 443.518 g·mol−1
Heat of Formation 22.9 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 494.53 Å 3
Surface Area 423.62 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy 1.59 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N