1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-(4-phenylpiperazin-1-yl)sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide

C129H156BrF24N10O28S15+ — CID 158548568

About 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-(4-phenylpiperazin-1-yl)sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide

1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-(4-phenylpiperazin-1-yl)sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide (PubChem CID 158548568) has the molecular formula C129H156BrF24N10O28S15+ and a molecular weight of 3311.57 g/mol. Its IUPAC name is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-(4-phenylpiperazin-1-yl)sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide.

Molecular Properties

• Compound Name: 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-(4-phenylpiperazin-1-yl)sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide
• PubChem CID: 158548568
• Molecular Formula: C129H156BrF24N10O28S15+
• Molecular Weight: 3311.57 g/mol
• Exact Mass: 3307.57
• IUPAC Name: 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-(4-phenylpiperazin-1-yl)sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide
• SMILES: CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CC(C)(C)C(C(=O)c1ccccc1)[S+]1CCOCC1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(C)(=O)=O)CC1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCN(C2CCOC2=O)CC1.C[N+](C)(C)C1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])CC1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCN(c2ccccc2)CC1.[Br-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C18H23OS.2C18H15S.C16H23O2S.C14H19OS.C13H14F6N2O5S2.C12H16F6N3O8S3.C11H18F6N2O5S2.C9H14F6N3O6S3.BrH/c1-2-3-12-19-17-10-11-18(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;1-16(2,3)15(19-11-9-18-10-12-19)14(17)13-7-5-4-6-8-13;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;14-11(15,13(18,19)28(24,25)26)12(16,17)27(22,23)21-8-6-20(7-9-21)10-4-2-1-3-5-10;1-30(23,24)19-31(25,26)11(15,16)10(13,14)12(17,18)32(27,28)21-5-3-20(4-6-21)8-2-7-29-9(8)22;1-19(2,3)8-4-6-18(7-5-8)25(20,21)10(14,15)9(12,13)11(16,17)26(22,23)24;1-17-3-5-18(6-4-17)27(23,24)9(14,15)7(10,11)8(12,13)26(21,22)16-25(2,19)20;/h4-5,8-11H,2-3,6-7,12-14H2,1H3;2*1-15H;4-8,15H,9-12H2,1-3H3;3-5,8-9H,6-7,10-11H2,1-2H3;1-5H,6-9H2,(H,24,25,26);8H,2-7H2,1H3;8H,4-7H2,1-3H3;3-6H2,1-2H3;1H/q5*+1;;-1;;-1;/p-2
• InChIKey: DMVSOTNSVFSXGP-UHFFFAOYSA-L
• XLogP: 19.49
• TPSA: 517.30 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 44
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3311.57
LogP ≤ 5	19.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-(4-phenylpiperazin-1-yl)sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide?

The IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-(4-phenylpiperazin-1-yl)sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide (CID 158548568) is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-(4-phenylpiperazin-1-yl)sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide.

What is the SMILES notation for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-(4-phenylpiperazin-1-yl)sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide?

The canonical SMILES for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-(4-phenylpiperazin-1-yl)sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide is CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CC(C)(C)C(C(=O)c1ccccc1)[S+]1CCOCC1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CN1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(C)(=O)=O)CC1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCN(C2CCOC2=O)CC1.C[N+](C)(C)C1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])CC1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCN(c2ccccc2)CC1.[Br-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-(4-phenylpiperazin-1-yl)sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide?

The InChIKey is DMVSOTNSVFSXGP-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H23OS.2C18H15S.C16H23O2S.C14H19OS.C13H14F6N2O5S2.C12H16F6N3O8S3.C11H18F6N2O5S2.C9H14F6N3O6S3.BrH/c1-2-3-12-19-17-10-11-18(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;1-16(2,3)15(19-11-9-18-10-12-19)14(17)13-7-5-4-6-8-13;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;14-11(15,13(18,19)28(24,25)26)12(16,17)27(22,23)21-8-6-20(7-9-21)10-4-2-1-3-5-10;1-30(23,24)19-31(25,26)11(15,16)10(13,14)12(17,18)32(27,28)21-5-3-20(4-6-21)8-2-7-29-9(8)22;1-19(2,3)8-4-6-18(7-5-8)25(20,21)10(14,15)9(12,13)11(16,17)26(22,23)24;1-17-3-5-18(6-4-17)27(23,24)9(14,15)7(10,11)8(12,13)26(21,22)16-25(2,19)20;/h4-5,8-11H,2-3,6-7,12-14H2,1H3;2*1-15H;4-8,15H,9-12H2,1-3H3;3-5,8-9H,6-7,10-11H2,1-2H3;1-5H,6-9H2,(H,24,25,26);8H,2-7H2,1H3;8H,4-7H2,1-3H3;3-6H2,1-2H3;1H/q5*+1;;-1;;-1;/p-2.

What are the key properties of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-(4-phenylpiperazin-1-yl)sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide?

1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-(4-phenylpiperazin-1-yl)sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide has a molecular weight of 3311.57 g/mol, XLogP of 19.49, 44 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;[1,1,2,2,3,3-hexafluoro-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropyl]sulfonyl-methylsulfonylazanide;1,1,2,2,3,3-hexafluoro-3-(4-phenylpiperazin-1-yl)sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(triphenylsulfanium);bromide is sourced from PubChem (CID 158548568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).