dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane;4-(thiolan-1-ium-1-yl)phenol

C257H372F28O29S18+8 — CID 160910427

About dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane;4-(thiolan-1-ium-1-yl)phenol

dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane;4-(thiolan-1-ium-1-yl)phenol (PubChem CID 160910427) has the molecular formula C257H372F28O29S18+8 and a molecular weight of 5034.92 g/mol. Its IUPAC name is dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane;4-(thiolan-1-ium-1-yl)phenol.

Molecular Properties

• Compound Name: dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane;4-(thiolan-1-ium-1-yl)phenol
• PubChem CID: 160910427
• Molecular Formula: C257H372F28O29S18+8
• Molecular Weight: 5034.92 g/mol
• Exact Mass: 5030.21
• IUPAC Name: dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane;4-(thiolan-1-ium-1-yl)phenol
• SMILES: CC(C)C(=O)C(C)(C)[S+]1CCCC1.CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)SOO[O-].CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCC[S+](CCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)C(C(=O)c1ccc(C)cc1)C(C)(C)C.CCCC[S+](CCCC)CC(=O)c1ccccc1.COc1ccc(C(=O)C(C)(C)[S+]2CCCC2)cc1.Cc1c(F)c(F)c(SOO[O-])c(F)c1F.Cc1c(F)c(F)c(SOO[O-])c(F)c1F.Cc1c(F)c(F)c(SOO[O-])c(F)c1F.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.Oc1ccc([S+]2CCCC2)cc1.[O-]OOSC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCCOCC12CC3CC(CC(C3)C1)C2.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1
• InChI: InChI=1S/2C32H57OS.C24H41OS.C21H35OS.C18H24F8O5S.2C17H23OS.C16H25OS.C15H21O2S.C11H21OS.C10H12OS.3C7H4F4O3S.3C6H6S.C5H4F8O4S/c2*1-3-5-7-9-11-13-15-17-19-24-28-34(30-32(33)31-26-22-21-23-27-31)29-25-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-16-20-26(21-17-12-10-8-6-4-2)22-24(25)23-18-14-13-15-19-23;1-7-9-15-23(16-10-8-2)20(21(4,5)6)19(22)18-13-11-17(3)12-14-18;19-15(20,16(21,22)29-17(23,24)18(25,26)32-31-30-27)2-1-3-28-10-14-7-11-4-12(8-14)6-13(5-11)9-14;2*18-16(15-9-3-1-4-10-15)17(11-5-2-6-12-17)19-13-7-8-14-19;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-15(2,18-10-4-5-11-18)14(16)12-6-8-13(17-3)9-7-12;1-9(2)10(12)11(3,4)13-7-5-6-8-13;11-9-3-5-10(6-4-9)12-7-1-2-8-12;3*1-2-3(8)5(10)7(15-14-13-12)6(11)4(2)9;3*7-6-4-2-1-3-5-6;1-2(6,7)3(8,9)15-4(10,11)5(12,13)18-17-16-14/h2*21-23,26-27H,3-20,24-25,28-30H2,1-2H3;13-15,18-19H,3-12,16-17,20-22H2,1-2H3;11-14,20H,7-10,15-16H2,1-6H3;11-13,27H,1-10H2;2*1,3-4,9-10H,2,5-8,11-14H2;7-11H,3-6,12-14H2,1-2H3;6-9H,4-5,10-11H2,1-3H3;9H,5-8H2,1-4H3;3-6H,1-2,7-8H2;3*12H,1H3;3*1-5,7H;14H,1H3/q4*+1;;5*+1;;;;;;;;/p-1
• InChIKey: SQRXERZGRJZTIM-UHFFFAOYSA-M
• XLogP: 69.50
• TPSA: 418.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 128
• Heavy Atoms: 332
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5034.92
LogP ≤ 5	69.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane;4-(thiolan-1-ium-1-yl)phenol?

The IUPAC name of dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane;4-(thiolan-1-ium-1-yl)phenol (CID 160910427) is dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane;4-(thiolan-1-ium-1-yl)phenol.

What is the SMILES notation for dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane;4-(thiolan-1-ium-1-yl)phenol?

The canonical SMILES for dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane;4-(thiolan-1-ium-1-yl)phenol is CC(C)C(=O)C(C)(C)[S+]1CCCC1.CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)SOO[O-].CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCC[S+](CCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)C(C(=O)c1ccc(C)cc1)C(C)(C)C.CCCC[S+](CCCC)CC(=O)c1ccccc1.COc1ccc(C(=O)C(C)(C)[S+]2CCCC2)cc1.Cc1c(F)c(F)c(SOO[O-])c(F)c1F.Cc1c(F)c(F)c(SOO[O-])c(F)c1F.Cc1c(F)c(F)c(SOO[O-])c(F)c1F.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.Oc1ccc([S+]2CCCC2)cc1.[O-]OOSC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCCOCC12CC3CC(CC(C3)C1)C2.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.

What is the InChIKey of dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane;4-(thiolan-1-ium-1-yl)phenol?

The InChIKey is SQRXERZGRJZTIM-UHFFFAOYSA-M. The full InChI is InChI=1S/2C32H57OS.C24H41OS.C21H35OS.C18H24F8O5S.2C17H23OS.C16H25OS.C15H21O2S.C11H21OS.C10H12OS.3C7H4F4O3S.3C6H6S.C5H4F8O4S/c2*1-3-5-7-9-11-13-15-17-19-24-28-34(30-32(33)31-26-22-21-23-27-31)29-25-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-16-20-26(21-17-12-10-8-6-4-2)22-24(25)23-18-14-13-15-19-23;1-7-9-15-23(16-10-8-2)20(21(4,5)6)19(22)18-13-11-17(3)12-14-18;19-15(20,16(21,22)29-17(23,24)18(25,26)32-31-30-27)2-1-3-28-10-14-7-11-4-12(8-14)6-13(5-11)9-14;2*18-16(15-9-3-1-4-10-15)17(11-5-2-6-12-17)19-13-7-8-14-19;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-15(2,18-10-4-5-11-18)14(16)12-6-8-13(17-3)9-7-12;1-9(2)10(12)11(3,4)13-7-5-6-8-13;11-9-3-5-10(6-4-9)12-7-1-2-8-12;3*1-2-3(8)5(10)7(15-14-13-12)6(11)4(2)9;3*7-6-4-2-1-3-5-6;1-2(6,7)3(8,9)15-4(10,11)5(12,13)18-17-16-14/h2*21-23,26-27H,3-20,24-25,28-30H2,1-2H3;13-15,18-19H,3-12,16-17,20-22H2,1-2H3;11-14,20H,7-10,15-16H2,1-6H3;11-13,27H,1-10H2;2*1,3-4,9-10H,2,5-8,11-14H2;7-11H,3-6,12-14H2,1-2H3;6-9H,4-5,10-11H2,1-3H3;9H,5-8H2,1-4H3;3-6H,1-2,7-8H2;3*12H,1H3;3*1-5,7H;14H,1H3/q4*+1;;5*+1;;;;;;;;/p-1.

What are the key properties of dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane;4-(thiolan-1-ium-1-yl)phenol?

dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane;4-(thiolan-1-ium-1-yl)phenol has a molecular weight of 5034.92 g/mol, XLogP of 69.50, 128 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane;4-(thiolan-1-ium-1-yl)phenol is sourced from PubChem (CID 160910427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).