1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1,3,2-dithiazepan-2-ium 1,1,3,3-tetraoxide;1-[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;hexakis(triphenylsulfanium)

C221H227F50N5O34S22+2 — CID 159923401

About 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1,3,2-dithiazepan-2-ium 1,1,3,3-tetraoxide;1-[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;hexakis(triphenylsulfanium)

1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1,3,2-dithiazepan-2-ium 1,1,3,3-tetraoxide;1-[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;hexakis(triphenylsulfanium) (PubChem CID 159923401) has the molecular formula C221H227F50N5O34S22+2 and a molecular weight of 5152.62 g/mol. Its IUPAC name is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1,3,2-dithiazepan-2-ium 1,1,3,3-tetraoxide;1-[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;hexakis(triphenylsulfanium).

Molecular Properties

• Compound Name: 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1,3,2-dithiazepan-2-ium 1,1,3,3-tetraoxide;1-[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;hexakis(triphenylsulfanium)
• PubChem CID: 159923401
• Molecular Formula: C221H227F50N5O34S22+2
• Molecular Weight: 5152.62 g/mol
• Exact Mass: 5147.92
• IUPAC Name: 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1,3,2-dithiazepan-2-ium 1,1,3,3-tetraoxide;1-[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;hexakis(triphenylsulfanium)
• SMILES: CCCCCCCCCCCCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)SOO[O-].CCCCCCCCCCCCS(=O)(=O)c1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.CCCCCCCCCCCCSc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.Cn1cc([S+]2CCCC2)c2ccccc21.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)[NH2+]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C1(F)F.[O-]OOSC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCCOC12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C18H26F4O5S2.C18H26F4O3S2.C18H23OS.6C18H15S.C17H22F8O5S.C16H26F8O4S.C13H16NS.C4HF8NO4S2.3C3F6NO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-28(23,24)17-13(19)15(21)18(29(25,26)27)16(22)14(17)20;1-2-3-4-5-6-7-8-9-10-11-12-26-17-13(19)15(21)18(27(23,24)25)16(22)14(17)20;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-14(19,15(20,21)28-16(22,23)17(24,25)31-30-29-26)2-1-3-27-13-7-10-4-11(8-13)6-12(5-10)9-13;1-2-3-4-5-6-7-8-9-10-11-12-13(17,18)14(19,20)26-15(21,22)16(23,24)29-28-27-25;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;5-1(6)2(7,8)4(11,12)19(16,17)13-18(14,15)3(1,9)10;3*4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h2-12H2,1H3,(H,25,26,27);2-12H2,1H3,(H,23,24,25);4-5,8-11H,2-3,6-7,12-14H2,1H3;6*1-15H;10-12,26H,1-9H2;25H,2-12H2,1H3;2-3,6-7,10H,4-5,8-9H2,1H3;13H;;;/q;;7*+1;;;+1;;3*-1/p-3
• InChIKey: NYRYBAAIJAXHEZ-UHFFFAOYSA-K
• XLogP: 61.33
• TPSA: 605.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 38
• Rotatable Bonds: 80
• Heavy Atoms: 332
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5152.62
LogP ≤ 5	61.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1,3,2-dithiazepan-2-ium 1,1,3,3-tetraoxide;1-[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;hexakis(triphenylsulfanium)?

The IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1,3,2-dithiazepan-2-ium 1,1,3,3-tetraoxide;1-[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;hexakis(triphenylsulfanium) (CID 159923401) is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1,3,2-dithiazepan-2-ium 1,1,3,3-tetraoxide;1-[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;hexakis(triphenylsulfanium).

What is the SMILES notation for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1,3,2-dithiazepan-2-ium 1,1,3,3-tetraoxide;1-[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;hexakis(triphenylsulfanium)?

The canonical SMILES for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1,3,2-dithiazepan-2-ium 1,1,3,3-tetraoxide;1-[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;hexakis(triphenylsulfanium) is CCCCCCCCCCCCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)SOO[O-].CCCCCCCCCCCCS(=O)(=O)c1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.CCCCCCCCCCCCSc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.Cn1cc([S+]2CCCC2)c2ccccc21.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)[NH2+]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C1(F)F.[O-]OOSC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCCOC12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1,3,2-dithiazepan-2-ium 1,1,3,3-tetraoxide;1-[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;hexakis(triphenylsulfanium)?

The InChIKey is NYRYBAAIJAXHEZ-UHFFFAOYSA-K. The full InChI is InChI=1S/C18H26F4O5S2.C18H26F4O3S2.C18H23OS.6C18H15S.C17H22F8O5S.C16H26F8O4S.C13H16NS.C4HF8NO4S2.3C3F6NO4S2/c1-2-3-4-5-6-7-8-9-10-11-12-28(23,24)17-13(19)15(21)18(29(25,26)27)16(22)14(17)20;1-2-3-4-5-6-7-8-9-10-11-12-26-17-13(19)15(21)18(27(23,24)25)16(22)14(17)20;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-14(19,15(20,21)28-16(22,23)17(24,25)31-30-29-26)2-1-3-27-13-7-10-4-11(8-13)6-12(5-10)9-13;1-2-3-4-5-6-7-8-9-10-11-12-13(17,18)14(19,20)26-15(21,22)16(23,24)29-28-27-25;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;5-1(6)2(7,8)4(11,12)19(16,17)13-18(14,15)3(1,9)10;3*4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h2-12H2,1H3,(H,25,26,27);2-12H2,1H3,(H,23,24,25);4-5,8-11H,2-3,6-7,12-14H2,1H3;6*1-15H;10-12,26H,1-9H2;25H,2-12H2,1H3;2-3,6-7,10H,4-5,8-9H2,1H3;13H;;;/q;;7*+1;;;+1;;3*-1/p-3.

What are the key properties of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1,3,2-dithiazepan-2-ium 1,1,3,3-tetraoxide;1-[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;hexakis(triphenylsulfanium)?

1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1,3,2-dithiazepan-2-ium 1,1,3,3-tetraoxide;1-[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;hexakis(triphenylsulfanium) has a molecular weight of 5152.62 g/mol, XLogP of 61.33, 80 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;tris(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide);1-methyl-3-(thiolan-1-ium-1-yl)indole;4,4,5,5,6,6,7,7-octafluoro-1,3,2-dithiazepan-2-ium 1,1,3,3-tetraoxide;1-[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;hexakis(triphenylsulfanium) is sourced from PubChem (CID 159923401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).