1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;dioctyl(phenacyl)sulfanium;tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);tris(trifluoromethanesulfonate);tetrafluoride;tetrahexafluorophosphate

C254H325B3F72O23P4S17Sb4 — CID 160775364

About 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;dioctyl(phenacyl)sulfanium;tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);tris(trifluoromethanesulfonate);tetrafluoride;tetrahexafluorophosphate

1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;dioctyl(phenacyl)sulfanium;tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);tris(trifluoromethanesulfonate);tetrafluoride;tetrahexafluorophosphate (PubChem CID 160775364) has the molecular formula C254H325B3F72O23P4S17Sb4 and a molecular weight of 6302.74 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;dioctyl(phenacyl)sulfanium;tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);tris(trifluoromethanesulfonate);tetrafluoride;tetrahexafluorophosphate.

Molecular Properties

• Compound Name: 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;dioctyl(phenacyl)sulfanium;tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);tris(trifluoromethanesulfonate);tetrafluoride;tetrahexafluorophosphate
• PubChem CID: 160775364
• Molecular Formula: C254H325B3F72O23P4S17Sb4
• Molecular Weight: 6302.74 g/mol
• Exact Mass: 6295.37
• IUPAC Name: 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;dioctyl(phenacyl)sulfanium;tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);tris(trifluoromethanesulfonate);tetrafluoride;tetrahexafluorophosphate
• SMILES: CC1(C)CC(=O)C=C(C[S+]2CCCC2)C1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCC[S+](CCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[Sb](F)(F)(F)F.F[Sb](F)(F)(F)F.F[Sb](F)(F)(F)F.F[Sb](F)(F)(F)F.O=C(C[S+]1CCCC1)C1=CCCCC1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.Oc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)c2ccccc12.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[F-].[F-].[F-].[F-]
• InChI: InChI=1S/C32H57OS.C24H41OS.4C16H17OS.2C16H25OS.4C14H14OS.C13H21OS.C12H19OS.3C6H3BF5.3CHF3O3S.4F6P.24FH.4Sb/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;1-3-5-7-9-11-16-20-26(21-17-12-10-8-6-4-2)22-24(25)23-18-14-13-15-19-23;4*17-16(12-18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15;2*1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;4*15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;1-13(2)8-11(7-12(14)9-13)10-15-5-3-4-6-15;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;3*7-1-2(8)4(10)6(12)5(11)3(1)9;3*2-1(3,4)8(5,6)7;4*1-7(2,3,4,5)6;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h21-23,26-27H,3-20,24-25,28-30H2,1-2H3;13-15,18-19H,3-12,16-17,20-22H2,1-2H3;4*1-2,5-8,11H,3-4,9-10,12H2;2*7-11H,3-6,12-14H2,1-2H3;4*1-2,5-8H,3-4,9-10H2;7H,3-6,8-10H2,1-2H3;6H,1-5,7-10H2;3*7H3;3*(H,5,6,7);;;;;24*1H;;;;/q8*+1;;;;;2*+1;3*-1;;;;4*-1;;;;;;;;;;;;;;;;;;;;;;;;;4*+5/p-23
• InChIKey: QADLGIDLIJWWAD-UHFFFAOYSA-A
• XLogP: 67.60
• TPSA: 423.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 81
• Heavy Atoms: 377
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6302.74
LogP ≤ 5	67.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;dioctyl(phenacyl)sulfanium;tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);tris(trifluoromethanesulfonate);tetrafluoride;tetrahexafluorophosphate?

The IUPAC name of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;dioctyl(phenacyl)sulfanium;tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);tris(trifluoromethanesulfonate);tetrafluoride;tetrahexafluorophosphate (CID 160775364) is 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;dioctyl(phenacyl)sulfanium;tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);tris(trifluoromethanesulfonate);tetrafluoride;tetrahexafluorophosphate.

What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;dioctyl(phenacyl)sulfanium;tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);tris(trifluoromethanesulfonate);tetrafluoride;tetrahexafluorophosphate?

The canonical SMILES for 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;dioctyl(phenacyl)sulfanium;tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);tris(trifluoromethanesulfonate);tetrafluoride;tetrahexafluorophosphate is CC1(C)CC(=O)C=C(C[S+]2CCCC2)C1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCC[S+](CCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[Sb](F)(F)(F)F.F[Sb](F)(F)(F)F.F[Sb](F)(F)(F)F.F[Sb](F)(F)(F)F.O=C(C[S+]1CCCC1)C1=CCCCC1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.Oc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)c2ccccc12.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[BH3-]c1c(F)c(F)c(F)c(F)c1F.[F-].[F-].[F-].[F-].

What is the InChIKey of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;dioctyl(phenacyl)sulfanium;tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);tris(trifluoromethanesulfonate);tetrafluoride;tetrahexafluorophosphate?

The InChIKey is QADLGIDLIJWWAD-UHFFFAOYSA-A. The full InChI is InChI=1S/C32H57OS.C24H41OS.4C16H17OS.2C16H25OS.4C14H14OS.C13H21OS.C12H19OS.3C6H3BF5.3CHF3O3S.4F6P.24FH.4Sb/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;1-3-5-7-9-11-16-20-26(21-17-12-10-8-6-4-2)22-24(25)23-18-14-13-15-19-23;4*17-16(12-18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15;2*1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;4*15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;1-13(2)8-11(7-12(14)9-13)10-15-5-3-4-6-15;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;3*7-1-2(8)4(10)6(12)5(11)3(1)9;3*2-1(3,4)8(5,6)7;4*1-7(2,3,4,5)6;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h21-23,26-27H,3-20,24-25,28-30H2,1-2H3;13-15,18-19H,3-12,16-17,20-22H2,1-2H3;4*1-2,5-8,11H,3-4,9-10,12H2;2*7-11H,3-6,12-14H2,1-2H3;4*1-2,5-8H,3-4,9-10H2;7H,3-6,8-10H2,1-2H3;6H,1-5,7-10H2;3*7H3;3*(H,5,6,7);;;;;24*1H;;;;/q8*+1;;;;;2*+1;3*-1;;;;4*-1;;;;;;;;;;;;;;;;;;;;;;;;;4*+5/p-23.

What are the key properties of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;dioctyl(phenacyl)sulfanium;tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);tris(trifluoromethanesulfonate);tetrafluoride;tetrahexafluorophosphate?

1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;dioctyl(phenacyl)sulfanium;tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);tris(trifluoromethanesulfonate);tetrafluoride;tetrahexafluorophosphate has a molecular weight of 6302.74 g/mol, XLogP of 67.60, 81 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;dioctyl(phenacyl)sulfanium;tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);tris(trifluoromethanesulfonate);tetrafluoride;tetrahexafluorophosphate is sourced from PubChem (CID 160775364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).