bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;[2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;[4-formyl-2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine;phenylsulfanium;bis(2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethyl)bicyclo[2.2.1]heptane)

C160H185F41N2O39S21+2 — CID 158952604

About bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;[2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;[4-formyl-2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine;phenylsulfanium;bis(2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethyl)bicyclo[2.2.1]heptane)

bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;[2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;[4-formyl-2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine;phenylsulfanium;bis(2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethyl)bicyclo[2.2.1]heptane) (PubChem CID 158952604) has the molecular formula C160H185F41N2O39S21+2 and a molecular weight of 4212.54 g/mol. Its IUPAC name is bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;[2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;[4-formyl-2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine;phenylsulfanium;bis(2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethyl)bicyclo[2.2.1]heptane).

Molecular Properties

• Compound Name: bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;[2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;[4-formyl-2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine;phenylsulfanium;bis(2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethyl)bicyclo[2.2.1]heptane)
• PubChem CID: 158952604
• Molecular Formula: C160H185F41N2O39S21+2
• Molecular Weight: 4212.54 g/mol
• Exact Mass: 4208.60
• IUPAC Name: bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;[2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;[4-formyl-2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine;phenylsulfanium;bis(2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethyl)bicyclo[2.2.1]heptane)
• SMILES: CC(C)c1cc(C=O)cc(C(C)C)c1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)SOO[O-].CC(C)c1cccc(C(C)C)c1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)SOO[O-].CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=S(=O)(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)SOO[O-].O=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc(C2CCCCC2)cc1)C(F)(F)F.O=S(=O)(Oc1ccc(C2CCCCC2)cc1)C(F)(F)C(F)(F)C(F)(F)SOO[O-].[O-]OOSC(F)(F)C(F)(F)C1CC2CCC1C2.[O-]OOSC(F)(F)C(F)(F)C1CC2CCC1C2.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1
• InChI: InChI=1S/2C18H23OS.C16H16F9NO7S3.C16H18F6O7S2.C15H16F6O6S2.C15H18F6O6S2.2C9H12F4O3S.C8H11F6NO5S2.6C6H6S/c2*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;17-13(18,14(19,20)34(27,28)26-35(29,30)16(23,24)25)15(21,22)36(31,32)33-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-8(2)11-5-10(7-23)6-12(9(3)4)13(11)27-31(25,26)16(21,22)14(17,18)15(19,20)30-29-28-24;16-13(17,14(18,19)28-27-26-22)15(20,21)29(23,24)25-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-8(2)10-6-5-7-11(9(3)4)12(10)25-29(23,24)15(20,21)13(16,17)14(18,19)28-27-26-22;2*10-8(11,9(12,13)17-16-15-14)7-4-5-1-2-6(7)3-5;9-6(10,7(11,12)21-20-19-16)8(13,14)22(17,18)15-4-2-1-3-5-15;6*7-6-4-2-1-3-5-6/h2*4-5,8-11H,2-3,6-7,12-14H2,1H3;6-10,26H,1-5H2;5-9,24H,1-4H3;6-10,22H,1-5H2;5-9,22H,1-4H3;2*5-7,14H,1-4H2;16H,1-5H2;6*1-5,7H/q2*+1
• InChIKey: JLPUPJDCDQMTJX-UHFFFAOYSA-N
• XLogP: 39.11
• TPSA: 575.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 45
• Rotatable Bonds: 66
• Heavy Atoms: 263
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4212.54
LogP ≤ 5	39.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;[2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;[4-formyl-2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine;phenylsulfanium;bis(2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethyl)bicyclo[2.2.1]heptane)?

The IUPAC name of bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;[2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;[4-formyl-2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine;phenylsulfanium;bis(2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethyl)bicyclo[2.2.1]heptane) (CID 158952604) is bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;[2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;[4-formyl-2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine;phenylsulfanium;bis(2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethyl)bicyclo[2.2.1]heptane).

What is the SMILES notation for bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;[2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;[4-formyl-2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine;phenylsulfanium;bis(2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethyl)bicyclo[2.2.1]heptane)?

The canonical SMILES for bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;[2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;[4-formyl-2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine;phenylsulfanium;bis(2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethyl)bicyclo[2.2.1]heptane) is CC(C)c1cc(C=O)cc(C(C)C)c1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)SOO[O-].CC(C)c1cccc(C(C)C)c1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)SOO[O-].CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=S(=O)(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)SOO[O-].O=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc(C2CCCCC2)cc1)C(F)(F)F.O=S(=O)(Oc1ccc(C2CCCCC2)cc1)C(F)(F)C(F)(F)C(F)(F)SOO[O-].[O-]OOSC(F)(F)C(F)(F)C1CC2CCC1C2.[O-]OOSC(F)(F)C(F)(F)C1CC2CCC1C2.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.

What is the InChIKey of bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;[2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;[4-formyl-2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine;phenylsulfanium;bis(2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethyl)bicyclo[2.2.1]heptane)?

The InChIKey is JLPUPJDCDQMTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H23OS.C16H16F9NO7S3.C16H18F6O7S2.C15H16F6O6S2.C15H18F6O6S2.2C9H12F4O3S.C8H11F6NO5S2.6C6H6S/c2*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;17-13(18,14(19,20)34(27,28)26-35(29,30)16(23,24)25)15(21,22)36(31,32)33-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-8(2)11-5-10(7-23)6-12(9(3)4)13(11)27-31(25,26)16(21,22)14(17,18)15(19,20)30-29-28-24;16-13(17,14(18,19)28-27-26-22)15(20,21)29(23,24)25-12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-8(2)10-6-5-7-11(9(3)4)12(10)25-29(23,24)15(20,21)13(16,17)14(18,19)28-27-26-22;2*10-8(11,9(12,13)17-16-15-14)7-4-5-1-2-6(7)3-5;9-6(10,7(11,12)21-20-19-16)8(13,14)22(17,18)15-4-2-1-3-5-15;6*7-6-4-2-1-3-5-6/h2*4-5,8-11H,2-3,6-7,12-14H2,1H3;6-10,26H,1-5H2;5-9,24H,1-4H3;6-10,22H,1-5H2;5-9,22H,1-4H3;2*5-7,14H,1-4H2;16H,1-5H2;6*1-5,7H/q2*+1;;;;;;;;;;;;;.

What are the key properties of bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;[2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;[4-formyl-2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine;phenylsulfanium;bis(2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethyl)bicyclo[2.2.1]heptane)?

bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;[2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;[4-formyl-2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine;phenylsulfanium;bis(2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethyl)bicyclo[2.2.1]heptane) has a molecular weight of 4212.54 g/mol, XLogP of 39.11, 66 rotatable bonds, 1 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;(4-cyclohexylphenyl) 1,1,2,2,3,3-hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonate;[2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;[4-formyl-2,6-di(propan-2-yl)phenyl] 1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonate;1-(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropyl)sulfonylpiperidine;phenylsulfanium;bis(2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethyl)bicyclo[2.2.1]heptane) is sourced from PubChem (CID 158952604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).