Tetramethylrhodamine-5-(and-6)-isothiocyanate supplier

Name
TRITC
EINECS
CAS No. 95197-95-8
Density
Solubility
Melting Point
Formula C₂₅H₂₁N₃O₃S
Boiling Point
Molecular Weight 443.52
Flash Point
Transport Information
Appearance
Safety 22-26-36
Risk Codes 36/37/38-42
Molecular Structure
Hazard Symbols Xn
Synonyms 9-(2-Carboxyisothiocyanatophenyl)-3,6-bis(dimethylamino)xanthylium inner salt;
PSA 86.46000
LogP 5.12090

Tetramethylrhodamine-5-(and-6)-isothiocyanate Specification

The systematic name of Tetramethylrhodamine-5-(and-6)-isothiocyanate is 2-[6-(Dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl]-4-isothiocyanatobenzoate. With the CAS registry number 95197-95-8, it is also named as 9-(2-Carboxyisothiocyanatophenyl)-3,6-bis(dimethylamino)xanthylium inner salt. The product should be stored at 2-8 °C. In addition, its molecular formula is C₂₅H₂₁N₃O₃S and its molecular weight is 443.52.

The other characteristics of Tetramethylrhodamine-5-(and-6)-isothiocyanate can be summarized as: (1)Nominal mass: 443; (2)Average mass: 443.5175; (3)Monoisotopic mass: 443.130362; (4)H bond acceptors: 6; (5)H bond donors: 1; (6)Freely Rotating Bonds: 4; (7)Polar Surface Area: 97.23 Å².

People can use the following data to convert to the molecule structure.
(1)SMILES:[O-]C(=O)c4ccc(\N=C=S)cc4C=1c3c(OC=2C=1\C=C/C(=[N+](/C)C)/C=2)cc(cc3)N(C)C
(2)InChI:InChI=1/C25H21N3O3S/c1-27(2)16-6-9-19-22(12-16)31-23-13-17(28(3)4)7-10-20(23)24(19)21-11-15(26-14-32)5-8-18(21)25(29)30/h5-13H,1-4H3
(3)InChIKey:OBYNJKLOYWCXEP-UHFFFAOYAH
(4)Std. InChI:InChI=1S/C25H21N3O3S/c1-27(2)16-6-9-19-22(12-16)31-23-13-17(28(3)4)7-10-20(23)24(19)21-11-15(26-14-32)5-8-18(21)25(29)30/h5-13H,1-4H3
(5)Std. InChIKey:OBYNJKLOYWCXEP-UHFFFAOYSA-N

Product Name

TRITC

Tetramethylrhodamine-5-(and-6)-isothiocyanate Specification

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