1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol

C162H241O9S9+9 — CID 158279523

IUPAC1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol
SMILESCC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCC[S+](CCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.O=C(C[S+]1CCCC1)C1=CCCCC1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.Oc1ccc([S+]2CCCC2)c2ccccc12
InChIInChI=1S/C32H57OS.C24H41OS.C17H23OS.C17H25OS.C16H17OS.C16H25OS.C14H14OS.C14H19OS.C12H19OS/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;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;17-16(12-18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11/h21-23,26-27H,3-20,24-25,28-30H2,1-2H3;13-15,18-19H,3-12,16-17,20-22H2,1-2H3;1,3-4,9-10H,2,5-8,11-14H2;7-10,16H,5-6,11-12H2,1-4H3;1-2,5-8,11H,3-4,9-10,12H2;7-11H,3-6,12-14H2,1-2H3;1-2,5-8H,3-4,9-10H2;3-5,8-9H,6-7,10-11H2,1-2H3;6H,1-5,7-10H2/q6*+1;;2*+1/p+1
InChIKeyGKARPCBYCBWBPF-UHFFFAOYSA-O
MW2621.30 g/mol
LogP41.89
Rot. Bonds67

About 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol

1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol (PubChem CID 158279523) has the molecular formula C162H241O9S9+9 and a molecular weight of 2621.30 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol
PubChem CID158279523
Molecular FormulaC162H241O9S9+9
Molecular Weight2621.30 g/mol
Exact Mass2618.58
IUPAC Name1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol
SMILESCC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCC[S+](CCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.O=C(C[S+]1CCCC1)C1=CCCCC1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.Oc1ccc([S+]2CCCC2)c2ccccc12
InChIInChI=1S/C32H57OS.C24H41OS.C17H23OS.C17H25OS.C16H17OS.C16H25OS.C14H14OS.C14H19OS.C12H19OS/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;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;17-16(12-18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11/h21-23,26-27H,3-20,24-25,28-30H2,1-2H3;13-15,18-19H,3-12,16-17,20-22H2,1-2H3;1,3-4,9-10H,2,5-8,11-14H2;7-10,16H,5-6,11-12H2,1-4H3;1-2,5-8,11H,3-4,9-10,12H2;7-11H,3-6,12-14H2,1-2H3;1-2,5-8H,3-4,9-10H2;3-5,8-9H,6-7,10-11H2,1-2H3;6H,1-5,7-10H2/q6*+1;;2*+1/p+1
InChIKeyGKARPCBYCBWBPF-UHFFFAOYSA-O
XLogP41.89
TPSA156.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds67
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002621.30
LogP ≤ 541.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol (CID 158279523) is 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol is CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCC[S+](CCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.O=C(C[S+]1CCCC1)C1=CCCCC1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.Oc1ccc([S+]2CCCC2)c2ccccc12.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol?
The InChIKey is GKARPCBYCBWBPF-UHFFFAOYSA-O. The full InChI is InChI=1S/C32H57OS.C24H41OS.C17H23OS.C17H25OS.C16H17OS.C16H25OS.C14H14OS.C14H19OS.C12H19OS/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;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;17-16(12-18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11/h21-23,26-27H,3-20,24-25,28-30H2,1-2H3;13-15,18-19H,3-12,16-17,20-22H2,1-2H3;1,3-4,9-10H,2,5-8,11-14H2;7-10,16H,5-6,11-12H2,1-4H3;1-2,5-8,11H,3-4,9-10,12H2;7-11H,3-6,12-14H2,1-2H3;1-2,5-8H,3-4,9-10H2;3-5,8-9H,6-7,10-11H2,1-2H3;6H,1-5,7-10H2/q6*+1;;2*+1/p+1.
What are the key properties of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol?
1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol has a molecular weight of 2621.30 g/mol, XLogP of 41.89, 67 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol is sourced from PubChem (CID 158279523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).