dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone

C144H182O12S10+10 — CID 157281441

IUPACdibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
SMILESCCCC[S+](CCCC)CC(=O)c1ccc2ccccc2c1.CCCC[S+](CCCC)CC(=O)c1ccccc1.CC[S+](CC)CC(=O)c1ccccc1.C[S+](C)CC(=O)c1ccccc1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCOCC1)c1ccccc1
InChIInChI=1S/C20H27OS.C17H19OS.C16H17O2S.C16H17OS.C16H25OS.C13H17OS.C12H15O2S.C12H15OS.C12H17OS.C10H13OS/c1-3-5-13-22(14-6-4-2)16-20(21)19-12-11-17-9-7-8-10-18(17)15-19;18-17(13-19-10-4-1-5-11-19)16-9-8-14-6-2-3-7-15(14)12-16;17-16(12-19-9-7-18-8-10-19)15-6-5-13-3-1-2-4-14(13)11-15;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;14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;13-12(11-4-2-1-3-5-11)10-15-8-6-14-7-9-15;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-3-14(4-2)10-12(13)11-8-6-5-7-9-11;1-12(2)8-10(11)9-6-4-3-5-7-9/h7-12,15H,3-6,13-14,16H2,1-2H3;2-3,6-9,12H,1,4-5,10-11,13H2;1-6,11H,7-10,12H2;1-2,5-8,11H,3-4,9-10,12H2;7-11H,3-6,12-14H2,1-2H3;1,3-4,7-8H,2,5-6,9-11H2;1-5H,6-10H2;1-3,6-7H,4-5,8-10H2;5-9H,3-4,10H2,1-2H3;3-7H,8H2,1-2H3/q10*+1
InChIKeyAZSFORVBWABQSI-UHFFFAOYSA-N
MW2425.70 g/mol
LogP30.00
Rot. Bonds44

About dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone

dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone (PubChem CID 157281441) has the molecular formula C144H182O12S10+10 and a molecular weight of 2425.70 g/mol. Its IUPAC name is dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone.

Molecular Properties

Compound Namedibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
PubChem CID157281441
Molecular FormulaC144H182O12S10+10
Molecular Weight2425.70 g/mol
Exact Mass2423.08
IUPAC Namedibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
SMILESCCCC[S+](CCCC)CC(=O)c1ccc2ccccc2c1.CCCC[S+](CCCC)CC(=O)c1ccccc1.CC[S+](CC)CC(=O)c1ccccc1.C[S+](C)CC(=O)c1ccccc1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCOCC1)c1ccccc1
InChIInChI=1S/C20H27OS.C17H19OS.C16H17O2S.C16H17OS.C16H25OS.C13H17OS.C12H15O2S.C12H15OS.C12H17OS.C10H13OS/c1-3-5-13-22(14-6-4-2)16-20(21)19-12-11-17-9-7-8-10-18(17)15-19;18-17(13-19-10-4-1-5-11-19)16-9-8-14-6-2-3-7-15(14)12-16;17-16(12-19-9-7-18-8-10-19)15-6-5-13-3-1-2-4-14(13)11-15;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;14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;13-12(11-4-2-1-3-5-11)10-15-8-6-14-7-9-15;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-3-14(4-2)10-12(13)11-8-6-5-7-9-11;1-12(2)8-10(11)9-6-4-3-5-7-9/h7-12,15H,3-6,13-14,16H2,1-2H3;2-3,6-9,12H,1,4-5,10-11,13H2;1-6,11H,7-10,12H2;1-2,5-8,11H,3-4,9-10,12H2;7-11H,3-6,12-14H2,1-2H3;1,3-4,7-8H,2,5-6,9-11H2;1-5H,6-10H2;1-3,6-7H,4-5,8-10H2;5-9H,3-4,10H2,1-2H3;3-7H,8H2,1-2H3/q10*+1
InChIKeyAZSFORVBWABQSI-UHFFFAOYSA-N
XLogP30.00
TPSA189.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds44
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002425.70
LogP ≤ 530.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone?
The IUPAC name of dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone (CID 157281441) is dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone.
What is the SMILES notation for dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone?
The canonical SMILES for dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone is CCCC[S+](CCCC)CC(=O)c1ccc2ccccc2c1.CCCC[S+](CCCC)CC(=O)c1ccccc1.CC[S+](CC)CC(=O)c1ccccc1.C[S+](C)CC(=O)c1ccccc1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCOCC1)c1ccccc1.
What is the InChIKey of dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone?
The InChIKey is AZSFORVBWABQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27OS.C17H19OS.C16H17O2S.C16H17OS.C16H25OS.C13H17OS.C12H15O2S.C12H15OS.C12H17OS.C10H13OS/c1-3-5-13-22(14-6-4-2)16-20(21)19-12-11-17-9-7-8-10-18(17)15-19;18-17(13-19-10-4-1-5-11-19)16-9-8-14-6-2-3-7-15(14)12-16;17-16(12-19-9-7-18-8-10-19)15-6-5-13-3-1-2-4-14(13)11-15;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;14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;13-12(11-4-2-1-3-5-11)10-15-8-6-14-7-9-15;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-3-14(4-2)10-12(13)11-8-6-5-7-9-11;1-12(2)8-10(11)9-6-4-3-5-7-9/h7-12,15H,3-6,13-14,16H2,1-2H3;2-3,6-9,12H,1,4-5,10-11,13H2;1-6,11H,7-10,12H2;1-2,5-8,11H,3-4,9-10,12H2;7-11H,3-6,12-14H2,1-2H3;1,3-4,7-8H,2,5-6,9-11H2;1-5H,6-10H2;1-3,6-7H,4-5,8-10H2;5-9H,3-4,10H2,1-2H3;3-7H,8H2,1-2H3/q10*+1.
What are the key properties of dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone?
dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone has a molecular weight of 2425.70 g/mol, XLogP of 30.00, 44 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone is sourced from PubChem (CID 157281441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).