About 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide
1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide (PubChem CID 160566201) has the molecular formula C168H212BrF37N16O43S22
and a molecular weight of 4631.92 g/mol. Its IUPAC name is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide.
Frequently Asked Questions
What is the IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide?
The IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide (CID 160566201) is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide.
What is the SMILES notation for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide?
The canonical SMILES for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide is CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CC(C)(C)C(C(=O)c1ccccc1)[S+]1CCOCC1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(C)(=O)=O)CC1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCN(C2CCOC2=O)CC1.C[N+](C)(C)C1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])CC1.O=C1OCCC1N1CCN(S(=O)(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)CC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)N1CCN(CC(F)(F)F)CC1)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCN(C2CCCCC2)CC1.[Br-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1.
What is the InChIKey of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide?
The InChIKey is ADZDSHDMOXTNRH-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H27OS.C18H23OS.2C18H15S.C16H23O2S.C14H19OS.C13H20F6N2O5S2.C12H16F6N3O8S3.C11H18F6N2O5S2.C10H13F5N3O8S3.C9H14F6N3O6S3.C8H10F8N3O6S3.BrH/c1-2-8-17(9-3-1)16-22-20-12-13-21(23-14-6-7-15-23)19-11-5-4-10-18(19)20;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-16(2,3)15(19-11-9-18-10-12-19)14(17)13-7-5-4-6-8-13;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;14-11(15,13(18,19)28(24,25)26)12(16,17)27(22,23)21-8-6-20(7-9-21)10-4-2-1-3-5-10;1-30(23,24)19-31(25,26)11(15,16)10(13,14)12(17,18)32(27,28)21-5-3-20(4-6-21)8-2-7-29-9(8)22;1-19(2,3)8-4-6-18(7-5-8)25(20,21)10(14,15)9(12,13)11(16,17)26(22,23)24;11-9(12,13)27(20,21)16-28(22,23)10(14,15)29(24,25)18-4-2-17(3-5-18)7-1-6-26-8(7)19;1-17-3-5-18(6-4-17)27(23,24)9(14,15)7(10,11)8(12,13)26(21,22)16-25(2,19)20;9-6(10,11)5-18-1-3-19(4-2-18)28(24,25)8(15,16)27(22,23)17-26(20,21)7(12,13)14;/h4-5,10-13,17H,1-3,6-9,14-16H2;4-5,8-11H,2-3,6-7,12-14H2,1H3;2*1-15H;4-8,15H,9-12H2,1-3H3;3-5,8-9H,6-7,10-11H2,1-2H3;10H,1-9H2,(H,24,25,26);8H,2-7H2,1H3;8H,4-7H2,1-3H3;7H,1-6H2;3-6H2,1-2H3;1-5H2;1H/q6*+1;;-1;;3*-1;/p-2.
What are the key properties of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide?
1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide has a molecular weight of 4631.92 g/mol, XLogP of 25.14, 60 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;3-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[difluoro-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[difluoro-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide is sourced from PubChem (CID 160566201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).