2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,3,3,3-pentafluoro-2-[(4-oxo-1-adamantyl)oxy]propane-1-sulfonate;bis(triphenylsulfanium)

C118H127F19O20S8 — CID 159690812

About 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,3,3,3-pentafluoro-2-[(4-oxo-1-adamantyl)oxy]propane-1-sulfonate;bis(triphenylsulfanium)

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,3,3,3-pentafluoro-2-[(4-oxo-1-adamantyl)oxy]propane-1-sulfonate;bis(triphenylsulfanium) (PubChem CID 159690812) has the molecular formula C118H127F19O20S8 and a molecular weight of 2482.79 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,3,3,3-pentafluoro-2-[(4-oxo-1-adamantyl)oxy]propane-1-sulfonate;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,3,3,3-pentafluoro-2-[(4-oxo-1-adamantyl)oxy]propane-1-sulfonate;bis(triphenylsulfanium)
• PubChem CID: 159690812
• Molecular Formula: C118H127F19O20S8
• Molecular Weight: 2482.79 g/mol
• Exact Mass: 2480.64
• IUPAC Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,3,3,3-pentafluoro-2-[(4-oxo-1-adamantyl)oxy]propane-1-sulfonate;bis(triphenylsulfanium)
• SMILES: CC(C)(C(=O)c1ccc2ccccc2c1)[S+]1CCCC1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C1C2CC3CC1CC(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2CCC1C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C18H21OS.C18H23OS.2C18H15S.C14H17F5O5S.C13H15F5O5S.C10H13F5O5S.C9H12F4O3S/c1-18(2,20-11-5-6-12-20)17(19)16-10-9-14-7-3-4-8-15(14)13-16;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;14-12(15,16)10(13(17,18)24(20,21)22)23-11-3-6-1-7(4-11)9(19)8(2-6)5-11;11-9(12,13)8(10(14,15)21(17,18)19)20-7(16)6-4-2-1-3-5-6;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5/h3-4,7-10,13H,5-6,11-12H2,1-2H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;2*1-15H;7-10H,1-6H2,(H,21,22,23);6-8,10H,1-5H2,(H,20,21,22);6,8H,1-5H2,(H,17,18,19);5-7H,1-4H2,(H,14,15,16)/q4*+1;;;;/p-4
• InChIKey: MWJRKNJODCGLIR-UHFFFAOYSA-J
• XLogP: 27.98
• TPSA: 334.00 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2482.79
LogP ≤ 5	27.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,3,3,3-pentafluoro-2-[(4-oxo-1-adamantyl)oxy]propane-1-sulfonate;bis(triphenylsulfanium)?

The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,3,3,3-pentafluoro-2-[(4-oxo-1-adamantyl)oxy]propane-1-sulfonate;bis(triphenylsulfanium) (CID 159690812) is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,3,3,3-pentafluoro-2-[(4-oxo-1-adamantyl)oxy]propane-1-sulfonate;bis(triphenylsulfanium).

What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,3,3,3-pentafluoro-2-[(4-oxo-1-adamantyl)oxy]propane-1-sulfonate;bis(triphenylsulfanium)?

The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,3,3,3-pentafluoro-2-[(4-oxo-1-adamantyl)oxy]propane-1-sulfonate;bis(triphenylsulfanium) is CC(C)(C(=O)c1ccc2ccccc2c1)[S+]1CCCC1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C1C2CC3CC1CC(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2CCC1C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,3,3,3-pentafluoro-2-[(4-oxo-1-adamantyl)oxy]propane-1-sulfonate;bis(triphenylsulfanium)?

The InChIKey is MWJRKNJODCGLIR-UHFFFAOYSA-J. The full InChI is InChI=1S/C18H21OS.C18H23OS.2C18H15S.C14H17F5O5S.C13H15F5O5S.C10H13F5O5S.C9H12F4O3S/c1-18(2,20-11-5-6-12-20)17(19)16-10-9-14-7-3-4-8-15(14)13-16;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;14-12(15,16)10(13(17,18)24(20,21)22)23-11-3-6-1-7(4-11)9(19)8(2-6)5-11;11-9(12,13)8(10(14,15)21(17,18)19)20-7(16)6-4-2-1-3-5-6;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5/h3-4,7-10,13H,5-6,11-12H2,1-2H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;2*1-15H;7-10H,1-6H2,(H,21,22,23);6-8,10H,1-5H2,(H,20,21,22);6,8H,1-5H2,(H,17,18,19);5-7H,1-4H2,(H,14,15,16)/q4*+1;;;;/p-4.

What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,3,3,3-pentafluoro-2-[(4-oxo-1-adamantyl)oxy]propane-1-sulfonate;bis(triphenylsulfanium)?

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,3,3,3-pentafluoro-2-[(4-oxo-1-adamantyl)oxy]propane-1-sulfonate;bis(triphenylsulfanium) has a molecular weight of 2482.79 g/mol, XLogP of 27.98, 29 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,3,3,3-pentafluoro-2-[(4-oxo-1-adamantyl)oxy]propane-1-sulfonate;bis(triphenylsulfanium) is sourced from PubChem (CID 159690812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).