1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;bis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);trifluoromethanesulfonate;bis(5-(trifluoromethyl)dibenzothiophen-5-ium);tetrafluoride;trihexafluorophosphate

C152H156B2F61O11P3S11Sb4 — CID 158501561

About 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;bis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);trifluoromethanesulfonate;bis(5-(trifluoromethyl)dibenzothiophen-5-ium);tetrafluoride;trihexafluorophosphate

1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;bis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);trifluoromethanesulfonate;bis(5-(trifluoromethyl)dibenzothiophen-5-ium);tetrafluoride;trihexafluorophosphate (PubChem CID 158501561) has the molecular formula C152H156B2F61O11P3S11Sb4 and a molecular weight of 4272.11 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;bis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);trifluoromethanesulfonate;bis(5-(trifluoromethyl)dibenzothiophen-5-ium);tetrafluoride;trihexafluorophosphate.

Molecular Properties

• Compound Name: 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;bis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);trifluoromethanesulfonate;bis(5-(trifluoromethyl)dibenzothiophen-5-ium);tetrafluoride;trihexafluorophosphate
• PubChem CID: 158501561
• Molecular Formula: C152H156B2F61O11P3S11Sb4
• Molecular Weight: 4272.11 g/mol
• Exact Mass: 4266.32
• IUPAC Name: 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;bis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);trifluoromethanesulfonate;bis(5-(trifluoromethyl)dibenzothiophen-5-ium);tetrafluoride;trihexafluorophosphate
• SMILES: CC1(C)CC(=O)C=C(C[S+]2CCCC2)C1.FC(F)(F)[s+]1c2ccccc2c2ccccc21.FC(F)(F)[s+]1c2ccccc2c2ccccc21.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=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.[F-].[F-].[F-].[F-]
• InChI: InChI=1S/2C16H17OS.4C14H14OS.2C13H8F3S.C13H21OS.C12H19OS.2C6H3BF5.CHF3O3S.3F6P.24FH.4Sb/c2*17-16(12-18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15;4*15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;2*14-13(15,16)17-11-7-3-1-5-9(11)10-6-2-4-8-12(10)17;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;2*7-1-2(8)4(10)6(12)5(11)3(1)9;2-1(3,4)8(5,6)7;3*1-7(2,3,4,5)6;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*1-2,5-8,11H,3-4,9-10,12H2;4*1-2,5-8H,3-4,9-10H2;2*1-8H;7H,3-6,8-10H2,1-2H3;6H,1-5,7-10H2;2*7H3;(H,5,6,7);;;;24*1H;;;;/q2*+1;;;;;4*+1;2*-1;;3*-1;;;;;;;;;;;;;;;;;;;;;;;;;4*+5/p-21
• InChIKey: NQTWECMWZGIEGW-UHFFFAOYSA-A
• XLogP: 41.59
• TPSA: 206.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4272.11
LogP ≤ 5	41.59
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;bis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);trifluoromethanesulfonate;bis(5-(trifluoromethyl)dibenzothiophen-5-ium);tetrafluoride;trihexafluorophosphate?

The IUPAC name of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;bis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);trifluoromethanesulfonate;bis(5-(trifluoromethyl)dibenzothiophen-5-ium);tetrafluoride;trihexafluorophosphate (CID 158501561) is 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;bis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);trifluoromethanesulfonate;bis(5-(trifluoromethyl)dibenzothiophen-5-ium);tetrafluoride;trihexafluorophosphate.

What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;bis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);trifluoromethanesulfonate;bis(5-(trifluoromethyl)dibenzothiophen-5-ium);tetrafluoride;trihexafluorophosphate?

The canonical SMILES for 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;bis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);trifluoromethanesulfonate;bis(5-(trifluoromethyl)dibenzothiophen-5-ium);tetrafluoride;trihexafluorophosphate is CC1(C)CC(=O)C=C(C[S+]2CCCC2)C1.FC(F)(F)[s+]1c2ccccc2c2ccccc21.FC(F)(F)[s+]1c2ccccc2c2ccccc21.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=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.[F-].[F-].[F-].[F-].

What is the InChIKey of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;bis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);trifluoromethanesulfonate;bis(5-(trifluoromethyl)dibenzothiophen-5-ium);tetrafluoride;trihexafluorophosphate?

The InChIKey is NQTWECMWZGIEGW-UHFFFAOYSA-A. The full InChI is InChI=1S/2C16H17OS.4C14H14OS.2C13H8F3S.C13H21OS.C12H19OS.2C6H3BF5.CHF3O3S.3F6P.24FH.4Sb/c2*17-16(12-18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15;4*15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;2*14-13(15,16)17-11-7-3-1-5-9(11)10-6-2-4-8-12(10)17;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;2*7-1-2(8)4(10)6(12)5(11)3(1)9;2-1(3,4)8(5,6)7;3*1-7(2,3,4,5)6;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*1-2,5-8,11H,3-4,9-10,12H2;4*1-2,5-8H,3-4,9-10H2;2*1-8H;7H,3-6,8-10H2,1-2H3;6H,1-5,7-10H2;2*7H3;(H,5,6,7);;;;24*1H;;;;/q2*+1;;;;;4*+1;2*-1;;3*-1;;;;;;;;;;;;;;;;;;;;;;;;;4*+5/p-21.

What are the key properties of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;bis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);trifluoromethanesulfonate;bis(5-(trifluoromethyl)dibenzothiophen-5-ium);tetrafluoride;trihexafluorophosphate?

1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;bis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);trifluoromethanesulfonate;bis(5-(trifluoromethyl)dibenzothiophen-5-ium);tetrafluoride;trihexafluorophosphate has a molecular weight of 4272.11 g/mol, XLogP of 41.59, 15 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;bis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);bis((2,3,4,5,6-pentafluorophenyl)boranuide);tetrakis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);trifluoromethanesulfonate;bis(5-(trifluoromethyl)dibenzothiophen-5-ium);tetrafluoride;trihexafluorophosphate is sourced from PubChem (CID 158501561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).