Basic Information | Post buying leads | Suppliers |
Name |
Tetramethylrhodamine-5-(and-6)-isothiocyanate |
EINECS | N/A |
CAS No. | 95197-95-8 | Density | N/A |
PSA | 86.46000 | LogP | 5.12090 |
Solubility | N/A | Melting Point |
N/A |
Formula | C25H21N3O3S | Boiling Point | N/A |
Molecular Weight | 443.52 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
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; |
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