1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;bis(4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide);4,4,5,5,6,6,7,7-octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluorobutoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluorobutoxy)tetradecane;heptakis(triphenylsulfanium)

C249H270F48N3O28S19+5 — CID 158069168

About 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;bis(4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide);4,4,5,5,6,6,7,7-octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluorobutoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluorobutoxy)tetradecane;heptakis(triphenylsulfanium)

1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;bis(4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide);4,4,5,5,6,6,7,7-octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluorobutoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluorobutoxy)tetradecane;heptakis(triphenylsulfanium) (PubChem CID 158069168) has the molecular formula C249H270F48N3O28S19+5 and a molecular weight of 5274.07 g/mol. Its IUPAC name is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;bis(4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide);4,4,5,5,6,6,7,7-octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluorobutoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluorobutoxy)tetradecane;heptakis(triphenylsulfanium).

Molecular Properties

• Compound Name: 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;bis(4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide);4,4,5,5,6,6,7,7-octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluorobutoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluorobutoxy)tetradecane;heptakis(triphenylsulfanium)
• PubChem CID: 158069168
• Molecular Formula: C249H270F48N3O28S19+5
• Molecular Weight: 5274.07 g/mol
• Exact Mass: 5269.37
• IUPAC Name: 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;bis(4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide);4,4,5,5,6,6,7,7-octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluorobutoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluorobutoxy)tetradecane;heptakis(triphenylsulfanium)
• SMILES: CCC(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(F)(F)CC.CCCCCCCCCCCCOc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.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.CN1S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S1(=O)=O.CN1S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S1(=O)=O.CN1S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S1(=O)=O.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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C20H28F8O2.C18H30F8O.C18H26F4O5S2.C18H26F4O4S.C18H26F4O3S2.C18H23OS.7C18H15S.C5H3F8NO4S2.2C4H3F6NO4S2/c1-2-17(21,22)19(25,26)30-20(27,28)18(23,24)4-3-5-29-12-16-9-13-6-14(10-16)8-15(7-13)11-16;1-3-5-6-7-8-9-10-11-12-13-14-16(21,22)18(25,26)27-17(23,24)15(19,20)4-2;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;2*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;7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-19(15,16)4(10,11)2(6,7)3(8,9)5(12,13)20(14,17)18;2*1-11-16(12,13)3(7,8)2(5,6)4(9,10)17(11,14)15/h13-15H,2-12H2,1H3;3-14H2,1-2H3;2-12H2,1H3,(H,25,26,27);2*2-12H2,1H3,(H,23,24,25);4-5,8-11H,2-3,6-7,12-14H2,1H3;7*1-15H;1H3;2*1H3/q;;;;;8*+1;;;/p-3
• InChIKey: FLPOBDYWKOYSHY-UHFFFAOYSA-K
• XLogP: 71.65
• TPSA: 466.45 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 92
• Heavy Atoms: 347
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5274.07
LogP ≤ 5	71.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;bis(4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide);4,4,5,5,6,6,7,7-octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluorobutoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluorobutoxy)tetradecane;heptakis(triphenylsulfanium)?

The IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;bis(4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide);4,4,5,5,6,6,7,7-octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluorobutoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluorobutoxy)tetradecane;heptakis(triphenylsulfanium) (CID 158069168) is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;bis(4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide);4,4,5,5,6,6,7,7-octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluorobutoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluorobutoxy)tetradecane;heptakis(triphenylsulfanium).

What is the SMILES notation for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;bis(4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide);4,4,5,5,6,6,7,7-octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluorobutoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluorobutoxy)tetradecane;heptakis(triphenylsulfanium)?

The canonical SMILES for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;bis(4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide);4,4,5,5,6,6,7,7-octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluorobutoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluorobutoxy)tetradecane;heptakis(triphenylsulfanium) is CCC(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(F)(F)CC.CCCCCCCCCCCCOc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.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.CN1S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S1(=O)=O.CN1S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S1(=O)=O.CN1S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S1(=O)=O.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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;bis(4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide);4,4,5,5,6,6,7,7-octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluorobutoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluorobutoxy)tetradecane;heptakis(triphenylsulfanium)?

The InChIKey is FLPOBDYWKOYSHY-UHFFFAOYSA-K. The full InChI is InChI=1S/C20H28F8O2.C18H30F8O.C18H26F4O5S2.C18H26F4O4S.C18H26F4O3S2.C18H23OS.7C18H15S.C5H3F8NO4S2.2C4H3F6NO4S2/c1-2-17(21,22)19(25,26)30-20(27,28)18(23,24)4-3-5-29-12-16-9-13-6-14(10-16)8-15(7-13)11-16;1-3-5-6-7-8-9-10-11-12-13-14-16(21,22)18(25,26)27-17(23,24)15(19,20)4-2;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;2*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;7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14-19(15,16)4(10,11)2(6,7)3(8,9)5(12,13)20(14,17)18;2*1-11-16(12,13)3(7,8)2(5,6)4(9,10)17(11,14)15/h13-15H,2-12H2,1H3;3-14H2,1-2H3;2-12H2,1H3,(H,25,26,27);2*2-12H2,1H3,(H,23,24,25);4-5,8-11H,2-3,6-7,12-14H2,1H3;7*1-15H;1H3;2*1H3/q;;;;;8*+1;;;/p-3.

What are the key properties of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;bis(4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide);4,4,5,5,6,6,7,7-octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluorobutoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluorobutoxy)tetradecane;heptakis(triphenylsulfanium)?

1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;bis(4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide);4,4,5,5,6,6,7,7-octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluorobutoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluorobutoxy)tetradecane;heptakis(triphenylsulfanium) has a molecular weight of 5274.07 g/mol, XLogP of 71.65, 92 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;bis(4,4,5,5,6,6-hexafluoro-2-methyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide);4,4,5,5,6,6,7,7-octafluoro-2-methyl-1,3,2-dithiazepane 1,1,3,3-tetraoxide;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluorobutoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluorobutoxy)tetradecane;heptakis(triphenylsulfanium) is sourced from PubChem (CID 158069168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).