dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;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

C181H268O17S14+14 — CID 161127846

About dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;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-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;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 161127846) has the molecular formula C181H268O17S14+14 and a molecular weight of 3165.06 g/mol. Its IUPAC name is dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;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 Name: dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;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: 161127846
• Molecular Formula: C181H268O17S14+14
• Molecular Weight: 3165.06 g/mol
• Exact Mass: 3161.61
• IUPAC Name: dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;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
• SMILES: CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCCC1.CC(C)(C)C(=O)C[S+]1CCOCC1.CCCC[S+](CCCC)CC(=O)C(C)(C)C.CCCC[S+](CCCC)CC(=O)CC.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
• InChI: InChI=1S/C17H19OS.C16H17O2S.C16H17OS.C16H25OS.C14H29OS.C13H17OS.C12H15O2S.C12H15OS.C12H17OS.C12H25OS.C11H21OS.C10H19O2S.C10H19OS.C10H13OS/c18-17(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;1-6-8-10-16(11-9-7-2)12-13(15)14(3,4)5;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;1-4-7-9-14(10-8-5-2)11-12(13)6-3;1-11(2,3)10(12)9-13-7-5-4-6-8-13;1-10(2,3)9(11)8-13-6-4-12-5-7-13;1-10(2,3)9(11)8-12-6-4-5-7-12;1-12(2)8-10(11)9-6-4-3-5-7-9/h2-3,6-9,12H,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;6-12H2,1-5H3;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;4-11H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3;4-8H2,1-3H3;3-7H,8H2,1-2H3/q14*+1
• InChIKey: ULUFTZYURZTZAW-UHFFFAOYSA-N
• XLogP: 37.44
• TPSA: 266.67 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 58
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3165.06
LogP ≤ 5	37.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;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-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;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 161127846) is dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;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-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;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-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;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 CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCCC1.CC(C)(C)C(=O)C[S+]1CCOCC1.CCCC[S+](CCCC)CC(=O)C(C)(C)C.CCCC[S+](CCCC)CC(=O)CC.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-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;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 ULUFTZYURZTZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19OS.C16H17O2S.C16H17OS.C16H25OS.C14H29OS.C13H17OS.C12H15O2S.C12H15OS.C12H17OS.C12H25OS.C11H21OS.C10H19O2S.C10H19OS.C10H13OS/c18-17(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;1-6-8-10-16(11-9-7-2)12-13(15)14(3,4)5;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;1-4-7-9-14(10-8-5-2)11-12(13)6-3;1-11(2,3)10(12)9-13-7-5-4-6-8-13;1-10(2,3)9(11)8-13-6-4-12-5-7-13;1-10(2,3)9(11)8-12-6-4-5-7-12;1-12(2)8-10(11)9-6-4-3-5-7-9/h2-3,6-9,12H,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;6-12H2,1-5H3;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;4-11H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3;4-8H2,1-3H3;3-7H,8H2,1-2H3/q14*+1.

What are the key properties of dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;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-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;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 3165.06 g/mol, XLogP of 37.44, 58 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;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 161127846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).