1.0 2010-04-08 22:08:12 UTC 2015-07-20 22:25:01 UTC FDB008680 Sulforhodamine B Food dye Sulforhodamine B or kiton red (C27H30N2O7S2) is a fluorescent dye with uses spanning from laser-induced fluorescence (LIF) to the quantification of cellular proteins of cultured cells. The red, solid, water-soluble dye is primarily used as a polar tracer. [6-(Diethylamino)-9-(2,4-disulfophenyl)-3H-xanthen-3-ylidene]diethylammonium, 8CI 3,6-Bis(diethylamino)-9-(2,4-disulfophenyl)xanthylium hydroxide inner salt, 9CI 3520-42-1 (SODIUM salt) C.I. 45100 C.I. Acid Red 52 Food Color Red No. 106 Food Red 106 Kayaku acid rhodamine BH Kiton rhodamine b Lissamine Rhodamine B Sulforhodamine b, acid form C27H30N2O7S2 558.666 558.149442704 2-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthen-9-yl]-5-sulfobenzene-1-sulfonate sulforhodamine B 2609-88-3 CCN(CC)C1=CC2=C(C=C1)C(C1=CC=C(C=C1S([O-])(=O)=O)S(O)(=O)=O)=C1C=CC(C=C1O2)=[N+](CC)CC InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35) IOOMXAQUNPWDLL-UHFFFAOYSA-N belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. Xanthenes Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Dialkylarylamines Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organooxygen compounds Organopnictogen compounds Organosulfonic acids Oxacyclic compounds Secondary ketimines Sulfonyls 1-sulfo,2-unsubstituted aromatic compound Amine Aromatic heteropolycyclic compound Arylsulfonic acid or derivatives Benzenesulfonate Benzenesulfonyl group Benzenoid Dialkylarylamine Heteroaromatic compound Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Oxacycle Secondary ketimine Sulfonyl Tertiary aliphatic/aromatic amine Tertiary amine Xanthene logp 0.34 ALOGPS logs -5.63 ALOGPS solubility 1.43e-03 g/l ALOGPS logp 1.25 ChemAxon pka_strongest_acidic -2.7 ChemAxon pka_strongest_basic 4.23 ChemAxon iupac 2-[6-(diethylamino)-3-(diethyliminiumyl)-3H-xanthen-9-yl]-5-sulfobenzene-1-sulfonate ChemAxon average_mass 558.666 ChemAxon mono_mass 558.149442704 ChemAxon smiles CCN(CC)C1=CC2=C(C=C1)C(C1=CC=C(C=C1S([O-])(=O)=O)S(O)(=O)=O)=C1C=CC(C=C1O2)=[N+](CC)CC ChemAxon formula C27H30N2O7S2 ChemAxon inchi InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35) ChemAxon inchikey IOOMXAQUNPWDLL-UHFFFAOYSA-N ChemAxon polar_surface_area 127.05 ChemAxon refractivity 170.79 ChemAxon polarizability 58.81 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 8 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13471 Specdb::MsMs 94074 Specdb::MsMs 94075 Specdb::MsMs 94076 Specdb::MsMs 158013 Specdb::MsMs 158014 Specdb::MsMs 158015 Specdb::MsMs 2280628 Specdb::MsMs 2280629 Specdb::MsMs 2280630 Specdb::MsMs 3084604 Specdb::MsMs 3084605 Specdb::MsMs 3084606 HMDB31987 52101 #<Reference:0x000055ce32a7e0d0>