dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;phenylsulfanium;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;4-(thiolan-1-ium-1-yl)phenol

C163H244F20O20S14+4 — CID 158529420

About dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;phenylsulfanium;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;4-(thiolan-1-ium-1-yl)phenol

dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;phenylsulfanium;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;4-(thiolan-1-ium-1-yl)phenol (PubChem CID 158529420) has the molecular formula C163H244F20O20S14+4 and a molecular weight of 3352.62 g/mol. Its IUPAC name is dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;phenylsulfanium;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;4-(thiolan-1-ium-1-yl)phenol.

Molecular Properties

• Compound Name: dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;phenylsulfanium;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;4-(thiolan-1-ium-1-yl)phenol
• PubChem CID: 158529420
• Molecular Formula: C163H244F20O20S14+4
• Molecular Weight: 3352.62 g/mol
• Exact Mass: 3349.38
• IUPAC Name: dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;phenylsulfanium;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;4-(thiolan-1-ium-1-yl)phenol
• SMILES: CC(C)C(=O)C(C)(C)[S+]1CCCC1.CCCCCCCCCCCCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)SOO[O-].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.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.Oc1ccc([S+]2CCCC2)cc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1
• InChI: InChI=1S/C32H57OS.C18H26F4O5S2.C18H26F4O4S.C18H26F4O3S2.C16H26F8O4S.C16H25OS.C11H21OS.C10H12OS.4C6H6S/c1-3-5-7-9-11-13-15-17-19-24-28-34(30-32(33)31-26-22-21-23-27-31)29-25-20-18-16-14-12-10-8-6-4-2;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;1-2-3-4-5-6-7-8-9-10-11-12-13(17,18)14(19,20)26-15(21,22)16(23,24)29-28-27-25;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-9(2)10(12)11(3,4)13-7-5-6-8-13;11-9-3-5-10(6-4-9)12-7-1-2-8-12;4*7-6-4-2-1-3-5-6/h21-23,26-27H,3-20,24-25,28-30H2,1-2H3;2-12H2,1H3,(H,25,26,27);2*2-12H2,1H3,(H,23,24,25);25H,2-12H2,1H3;7-11H,3-6,12-14H2,1-2H3;9H,5-8H2,1-4H3;3-6H,1-2,7-8H2;4*1-5,7H/q+1;;;;;2*+1;;;;;/p+1
• InChIKey: HNEKFVNRVDEMDC-UHFFFAOYSA-O
• XLogP: 46.26
• TPSA: 337.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 95
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3352.62
LogP ≤ 5	46.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;phenylsulfanium;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;4-(thiolan-1-ium-1-yl)phenol?

The IUPAC name of dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;phenylsulfanium;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;4-(thiolan-1-ium-1-yl)phenol (CID 158529420) is dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;phenylsulfanium;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;4-(thiolan-1-ium-1-yl)phenol.

What is the SMILES notation for dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;phenylsulfanium;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;4-(thiolan-1-ium-1-yl)phenol?

The canonical SMILES for dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;phenylsulfanium;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;4-(thiolan-1-ium-1-yl)phenol is CC(C)C(=O)C(C)(C)[S+]1CCCC1.CCCCCCCCCCCCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)SOO[O-].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.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.Oc1ccc([S+]2CCCC2)cc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.

What is the InChIKey of dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;phenylsulfanium;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;4-(thiolan-1-ium-1-yl)phenol?

The InChIKey is HNEKFVNRVDEMDC-UHFFFAOYSA-O. The full InChI is InChI=1S/C32H57OS.C18H26F4O5S2.C18H26F4O4S.C18H26F4O3S2.C16H26F8O4S.C16H25OS.C11H21OS.C10H12OS.4C6H6S/c1-3-5-7-9-11-13-15-17-19-24-28-34(30-32(33)31-26-22-21-23-27-31)29-25-20-18-16-14-12-10-8-6-4-2;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;1-2-3-4-5-6-7-8-9-10-11-12-13(17,18)14(19,20)26-15(21,22)16(23,24)29-28-27-25;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-9(2)10(12)11(3,4)13-7-5-6-8-13;11-9-3-5-10(6-4-9)12-7-1-2-8-12;4*7-6-4-2-1-3-5-6/h21-23,26-27H,3-20,24-25,28-30H2,1-2H3;2-12H2,1H3,(H,25,26,27);2*2-12H2,1H3,(H,23,24,25);25H,2-12H2,1H3;7-11H,3-6,12-14H2,1-2H3;9H,5-8H2,1-4H3;3-6H,1-2,7-8H2;4*1-5,7H/q+1;;;;;2*+1;;;;;/p+1.

What are the key properties of dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;phenylsulfanium;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;4-(thiolan-1-ium-1-yl)phenol?

dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;phenylsulfanium;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;4-(thiolan-1-ium-1-yl)phenol has a molecular weight of 3352.62 g/mol, XLogP of 46.26, 95 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;phenylsulfanium;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;4-(thiolan-1-ium-1-yl)phenol is sourced from PubChem (CID 158529420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).