1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)phenol;nonaacetate

C152H234O27S9 — CID 158254688

About 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)phenol;nonaacetate

1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)phenol;nonaacetate (PubChem CID 158254688) has the molecular formula C152H234O27S9 and a molecular weight of 2782.12 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)phenol;nonaacetate.

Molecular Properties

• Compound Name: 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)phenol;nonaacetate
• PubChem CID: 158254688
• Molecular Formula: C152H234O27S9
• Molecular Weight: 2782.12 g/mol
• Exact Mass: 2779.44
• IUPAC Name: 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)phenol;nonaacetate
• SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)C(=O)C(C)(C)[S+]1CCCC1.CC1(C)CC(=O)C=C(C[S+]2CCCC2)C1.CCCC[S+](CCCC)CC(=O)c1ccc(C)cc1.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.O=C(C1CCCCC1)C1([S+]2CCCC2)CCCCC1.O=C(C[S+]1CCCC1)C1=CCCCC1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.Oc1ccc([S+]2CCCC2)cc1
• InChI: InChI=1S/C20H29OS.C17H29OS.C17H23OS.C17H25OS.C17H27OS.C13H21OS.C12H19OS.C11H21OS.C10H12OS.9C2H4O2/c1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;2*18-16(15-9-3-1-4-10-15)17(11-5-2-6-12-17)19-13-7-8-14-19;1-13-7-9-14(10-8-13)15(18)16(17(2,3)4)19-11-5-6-12-19;1-4-6-12-19(13-7-5-2)14-17(18)16-10-8-15(3)9-11-16;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;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;9*1-2(3)4/h10-13,16H,3-9,14-15H2,1-2H3;15H,1-14H2;1,3-4,9-10H,2,5-8,11-14H2;7-10,16H,5-6,11-12H2,1-4H3;8-11H,4-7,12-14H2,1-3H3;7H,3-6,8-10H2,1-2H3;6H,1-5,7-10H2;9H,5-8H2,1-4H3;3-6H,1-2,7-8H2;9*1H3,(H,3,4)/q8*+1;;;;;;;;;;/p-8
• InChIKey: YJORUKSLIJTUPM-UHFFFAOYSA-F
• XLogP: 20.30
• TPSA: 517.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2782.12
LogP ≤ 5	20.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)phenol;nonaacetate?

The IUPAC name of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)phenol;nonaacetate (CID 158254688) is 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)phenol;nonaacetate.

What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)phenol;nonaacetate?

The canonical SMILES for 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)phenol;nonaacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)C(=O)C(C)(C)[S+]1CCCC1.CC1(C)CC(=O)C=C(C[S+]2CCCC2)C1.CCCC[S+](CCCC)CC(=O)c1ccc(C)cc1.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.O=C(C1CCCCC1)C1([S+]2CCCC2)CCCCC1.O=C(C[S+]1CCCC1)C1=CCCCC1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.Oc1ccc([S+]2CCCC2)cc1.

What is the InChIKey of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)phenol;nonaacetate?

The InChIKey is YJORUKSLIJTUPM-UHFFFAOYSA-F. The full InChI is InChI=1S/C20H29OS.C17H29OS.C17H23OS.C17H25OS.C17H27OS.C13H21OS.C12H19OS.C11H21OS.C10H12OS.9C2H4O2/c1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;2*18-16(15-9-3-1-4-10-15)17(11-5-2-6-12-17)19-13-7-8-14-19;1-13-7-9-14(10-8-13)15(18)16(17(2,3)4)19-11-5-6-12-19;1-4-6-12-19(13-7-5-2)14-17(18)16-10-8-15(3)9-11-16;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;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;9*1-2(3)4/h10-13,16H,3-9,14-15H2,1-2H3;15H,1-14H2;1,3-4,9-10H,2,5-8,11-14H2;7-10,16H,5-6,11-12H2,1-4H3;8-11H,4-7,12-14H2,1-3H3;7H,3-6,8-10H2,1-2H3;6H,1-5,7-10H2;9H,5-8H2,1-4H3;3-6H,1-2,7-8H2;9*1H3,(H,3,4)/q8*+1;;;;;;;;;;/p-8.

What are the key properties of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)phenol;nonaacetate?

1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)phenol;nonaacetate has a molecular weight of 2782.12 g/mol, XLogP of 20.30, 31 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)phenol;nonaacetate is sourced from PubChem (CID 158254688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).