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-1,3,2-dithiazinane 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-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane;hexakis(triphenylsulfanium)

C224H237F50N5O28S20+6 — CID 158257957

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-1,3,2-dithiazinane 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-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)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-1,3,2-dithiazinane 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-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane;hexakis(triphenylsulfanium) (PubChem CID 158257957) has the molecular formula C224H237F50N5O28S20+6 and a molecular weight of 5038.61 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-1,3,2-dithiazinane 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-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)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-1,3,2-dithiazinane 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-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane;hexakis(triphenylsulfanium)
• PubChem CID: 158257957
• Molecular Formula: C224H237F50N5O28S20+6
• Molecular Weight: 5038.61 g/mol
• Exact Mass: 5034.09
• 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-1,3,2-dithiazinane 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-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane;hexakis(triphenylsulfanium)
• SMILES: CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCCOCC12CC3CC(CC(C3)C1)C2.CCCCCCCCCCCCC(F)(F)C(F)(F)OC(F)(F)C(C)(F)F.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)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.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/C19H26F8O2.C18H26F4O5S2.C18H26F4O3S2.C18H23OS.6C18H15S.C17H28F8O.C13H16NS.C4HF8NO4S2.3C3HF6NO4S2/c1-15(20,21)18(24,25)29-19(26,27)17(22,23)3-2-4-28-11-16-8-12-5-13(9-16)7-14(6-12)10-16;1-2-3-4-5-6-7-8-9-10-11-12-28(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;1-3-4-5-6-7-8-9-10-11-12-13-15(20,21)17(24,25)26-16(22,23)14(2,18)19;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/h12-14H,2-11H2,1H3;2-12H2,1H3,(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;3-13H2,1-2H3;2-3,6-7,10H,4-5,8-9H2,1H3;13H;3*10H/q;;;7*+1;;+1;;;;/p-2
• InChIKey: GHMYAZADCSWFEB-UHFFFAOYSA-L
• XLogP: 62.63
• TPSA: 511.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 75
• Heavy Atoms: 327
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5038.61
LogP ≤ 5	62.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

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-1,3,2-dithiazinane 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-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)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-1,3,2-dithiazinane 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-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane;hexakis(triphenylsulfanium) (CID 158257957) 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-1,3,2-dithiazinane 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-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)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-1,3,2-dithiazinane 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-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)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-1,3,2-dithiazinane 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-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane;hexakis(triphenylsulfanium) is CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)CCCOCC12CC3CC(CC(C3)C1)C2.CCCCCCCCCCCCC(F)(F)C(F)(F)OC(F)(F)C(C)(F)F.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)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)NS(=O)(=O)C(F)(F)C(F)(F)C1(F)F.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-1,3,2-dithiazinane 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-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane;hexakis(triphenylsulfanium)?

The InChIKey is GHMYAZADCSWFEB-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H26F8O2.C18H26F4O5S2.C18H26F4O3S2.C18H23OS.6C18H15S.C17H28F8O.C13H16NS.C4HF8NO4S2.3C3HF6NO4S2/c1-15(20,21)18(24,25)29-19(26,27)17(22,23)3-2-4-28-11-16-8-12-5-13(9-16)7-14(6-12)10-16;1-2-3-4-5-6-7-8-9-10-11-12-28(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;1-3-4-5-6-7-8-9-10-11-12-13-15(20,21)17(24,25)26-16(22,23)14(2,18)19;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/h12-14H,2-11H2,1H3;2-12H2,1H3,(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;3-13H2,1-2H3;2-3,6-7,10H,4-5,8-9H2,1H3;13H;3*10H/q;;;7*+1;;+1;;;;/p-2.

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-1,3,2-dithiazinane 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-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)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-1,3,2-dithiazinane 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-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane;hexakis(triphenylsulfanium) has a molecular weight of 5038.61 g/mol, XLogP of 62.63, 75 rotatable bonds, 4 hydrogen bond donors, and 30 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-1,3,2-dithiazinane 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-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoropropoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoropropoxy)tetradecane;hexakis(triphenylsulfanium) is sourced from PubChem (CID 158257957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).