1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[1-(4-cyclohexylphenyl)-1-oxopropan-2-yl]thian-1-ium-4-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;6-methyl-2-(1,4-oxathian-4-ium-4-yl)-3,4-dihydro-2H-naphthalen-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone
C173H231NO18S13+10 — CID 158536160
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[1-(4-cyclohexylphenyl)-1-oxopropan-2-yl]thian-1-ium-4-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;6-methyl-2-(1,4-oxathian-4-ium-4-yl)-3,4-dihydro-2H-naphthalen-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone
SMILESCC(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCC(=O)CC1.CC(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCOCC1.CC(C)(C(=O)c1ccc(Sc2ccccc2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCN(S(C)(=O)=O)CC1.CCC(C(=O)c1ccc(C)cc1)[S+]1CCOCC1.CCSc1ccc(C(=O)C[S+]2CCCC2)cc1.Cc1ccc(C(=O)C([S+]2CCOCC2)C(C)(C)C)cc1.Cc1ccc2c(c1)CCC([S+]1CCOCC1)C2=O.O=C(C[S+]1CCCC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H29O2S.C20H27O2S.C20H23OS2.C19H27OS.C18H19O2S.C17H25O2S.C15H22NO3S2.C15H19O2S.C15H21O2S.C14H19OS2/c1-20(2,23-14-12-22-13-15-23)19(21)18-10-8-17(9-11-18)16-6-4-3-5-7-16;1-15(23-13-11-19(21)12-14-23)20(22)18-9-7-17(8-10-18)16-5-3-2-4-6-16;1-20(2,23-14-6-7-15-23)19(21)16-10-12-18(13-11-16)22-17-8-4-3-5-9-17;1-15(21-13-5-6-14-21)19(20)18-11-9-17(10-12-18)16-7-3-2-4-8-16;19-18(14-21-12-4-5-13-21)15-8-10-17(11-9-15)20-16-6-2-1-3-7-16;1-13-5-7-14(8-6-13)15(18)16(17(2,3)4)20-11-9-19-10-12-20;1-15(2,14(17)13-7-5-4-6-8-13)20-11-9-16(10-12-20)21(3,18)19;1-11-2-4-13-12(10-11)3-5-14(15(13)16)18-8-6-17-7-9-18;1-3-14(18-10-8-17-9-11-18)15(16)13-6-4-12(2)5-7-13;1-2-16-13-7-5-12(6-8-13)14(15)11-17-9-3-4-10-17/h8-11,16H,3-7,12-15H2,1-2H3;7-10,15-16H,2-6,11-14H2,1H3;3-5,8-13H,6-7,14-15H2,1-2H3;9-12,15-16H,2-8,13-14H2,1H3;1-3,6-11H,4-5,12-14H2;5-8,16H,9-12H2,1-4H3;4-8H,9-12H2,1-3H3;2,4,10,14H,3,5-9H2,1H3;4-7,14H,3,8-11H2,1-2H3;5-8H,2-4,9-11H2,1H3/q10*+1
InChIKeyHNYVMWXSUJQNDB-UHFFFAOYSA-N
MW3029.61 g/mol
LogP35.55
Rot. Bonds39
About 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[1-(4-cyclohexylphenyl)-1-oxopropan-2-yl]thian-1-ium-4-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;6-methyl-2-(1,4-oxathian-4-ium-4-yl)-3,4-dihydro-2H-naphthalen-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone
1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[1-(4-cyclohexylphenyl)-1-oxopropan-2-yl]thian-1-ium-4-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;6-methyl-2-(1,4-oxathian-4-ium-4-yl)-3,4-dihydro-2H-naphthalen-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone (PubChem CID 158536160) has the molecular formula C173H231NO18S13+10 and a molecular weight of 3029.61 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[1-(4-cyclohexylphenyl)-1-oxopropan-2-yl]thian-1-ium-4-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;6-methyl-2-(1,4-oxathian-4-ium-4-yl)-3,4-dihydro-2H-naphthalen-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone.
Molecular Properties
| Compound Name | 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[1-(4-cyclohexylphenyl)-1-oxopropan-2-yl]thian-1-ium-4-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;6-methyl-2-(1,4-oxathian-4-ium-4-yl)-3,4-dihydro-2H-naphthalen-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone |
|---|---|
| PubChem CID | 158536160 |
| Molecular Formula | C173H231NO18S13+10 |
| Molecular Weight | 3029.61 g/mol |
| Exact Mass | 3026.35 |
| IUPAC Name | 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[1-(4-cyclohexylphenyl)-1-oxopropan-2-yl]thian-1-ium-4-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;6-methyl-2-(1,4-oxathian-4-ium-4-yl)-3,4-dihydro-2H-naphthalen-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone |
| SMILES | CC(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCC(=O)CC1.CC(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCOCC1.CC(C)(C(=O)c1ccc(Sc2ccccc2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCN(S(C)(=O)=O)CC1.CCC(C(=O)c1ccc(C)cc1)[S+]1CCOCC1.CCSc1ccc(C(=O)C[S+]2CCCC2)cc1.Cc1ccc(C(=O)C([S+]2CCOCC2)C(C)(C)C)cc1.Cc1ccc2c(c1)CCC([S+]1CCOCC1)C2=O.O=C(C[S+]1CCCC1)c1ccc(Oc2ccccc2)cc1 |
| InChI | InChI=1S/C20H29O2S.C20H27O2S.C20H23OS2.C19H27OS.C18H19O2S.C17H25O2S.C15H22NO3S2.C15H19O2S.C15H21O2S.C14H19OS2/c1-20(2,23-14-12-22-13-15-23)19(21)18-10-8-17(9-11-18)16-6-4-3-5-7-16;1-15(23-13-11-19(21)12-14-23)20(22)18-9-7-17(8-10-18)16-5-3-2-4-6-16;1-20(2,23-14-6-7-15-23)19(21)16-10-12-18(13-11-16)22-17-8-4-3-5-9-17;1-15(21-13-5-6-14-21)19(20)18-11-9-17(10-12-18)16-7-3-2-4-8-16;19-18(14-21-12-4-5-13-21)15-8-10-17(11-9-15)20-16-6-2-1-3-7-16;1-13-5-7-14(8-6-13)15(18)16(17(2,3)4)20-11-9-19-10-12-20;1-15(2,14(17)13-7-5-4-6-8-13)20-11-9-16(10-12-20)21(3,18)19;1-11-2-4-13-12(10-11)3-5-14(15(13)16)18-8-6-17-7-9-18;1-3-14(18-10-8-17-9-11-18)15(16)13-6-4-12(2)5-7-13;1-2-16-13-7-5-12(6-8-13)14(15)11-17-9-3-4-10-17/h8-11,16H,3-7,12-15H2,1-2H3;7-10,15-16H,2-6,11-14H2,1H3;3-5,8-13H,6-7,14-15H2,1-2H3;9-12,15-16H,2-8,13-14H2,1H3;1-3,6-11H,4-5,12-14H2;5-8,16H,9-12H2,1-4H3;4-8H,9-12H2,1-3H3;2,4,10,14H,3,5-9H2,1H3;4-7,14H,3,8-11H2,1-2H3;5-8H,2-4,9-11H2,1H3/q10*+1 |
| InChIKey | HNYVMWXSUJQNDB-UHFFFAOYSA-N |
| XLogP | 35.55 |
| TPSA | 271.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 205 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3029.61 |
| LogP ≤ 5 | 35.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
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-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[1-(4-cyclohexylphenyl)-1-oxopropan-2-yl]thian-1-ium-4-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;6-methyl-2-(1,4-oxathian-4-ium-4-yl)-3,4-dihydro-2H-naphthalen-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone?
The IUPAC name of 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[1-(4-cyclohexylphenyl)-1-oxopropan-2-yl]thian-1-ium-4-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;6-methyl-2-(1,4-oxathian-4-ium-4-yl)-3,4-dihydro-2H-naphthalen-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone (CID 158536160) is 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[1-(4-cyclohexylphenyl)-1-oxopropan-2-yl]thian-1-ium-4-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;6-methyl-2-(1,4-oxathian-4-ium-4-yl)-3,4-dihydro-2H-naphthalen-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[1-(4-cyclohexylphenyl)-1-oxopropan-2-yl]thian-1-ium-4-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;6-methyl-2-(1,4-oxathian-4-ium-4-yl)-3,4-dihydro-2H-naphthalen-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone?
The canonical SMILES for 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[1-(4-cyclohexylphenyl)-1-oxopropan-2-yl]thian-1-ium-4-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;6-methyl-2-(1,4-oxathian-4-ium-4-yl)-3,4-dihydro-2H-naphthalen-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone is CC(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCC(=O)CC1.CC(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCOCC1.CC(C)(C(=O)c1ccc(Sc2ccccc2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCN(S(C)(=O)=O)CC1.CCC(C(=O)c1ccc(C)cc1)[S+]1CCOCC1.CCSc1ccc(C(=O)C[S+]2CCCC2)cc1.Cc1ccc(C(=O)C([S+]2CCOCC2)C(C)(C)C)cc1.Cc1ccc2c(c1)CCC([S+]1CCOCC1)C2=O.O=C(C[S+]1CCCC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[1-(4-cyclohexylphenyl)-1-oxopropan-2-yl]thian-1-ium-4-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;6-methyl-2-(1,4-oxathian-4-ium-4-yl)-3,4-dihydro-2H-naphthalen-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone?
The InChIKey is HNYVMWXSUJQNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29O2S.C20H27O2S.C20H23OS2.C19H27OS.C18H19O2S.C17H25O2S.C15H22NO3S2.C15H19O2S.C15H21O2S.C14H19OS2/c1-20(2,23-14-12-22-13-15-23)19(21)18-10-8-17(9-11-18)16-6-4-3-5-7-16;1-15(23-13-11-19(21)12-14-23)20(22)18-9-7-17(8-10-18)16-5-3-2-4-6-16;1-20(2,23-14-6-7-15-23)19(21)16-10-12-18(13-11-16)22-17-8-4-3-5-9-17;1-15(21-13-5-6-14-21)19(20)18-11-9-17(10-12-18)16-7-3-2-4-8-16;19-18(14-21-12-4-5-13-21)15-8-10-17(11-9-15)20-16-6-2-1-3-7-16;1-13-5-7-14(8-6-13)15(18)16(17(2,3)4)20-11-9-19-10-12-20;1-15(2,14(17)13-7-5-4-6-8-13)20-11-9-16(10-12-20)21(3,18)19;1-11-2-4-13-12(10-11)3-5-14(15(13)16)18-8-6-17-7-9-18;1-3-14(18-10-8-17-9-11-18)15(16)13-6-4-12(2)5-7-13;1-2-16-13-7-5-12(6-8-13)14(15)11-17-9-3-4-10-17/h8-11,16H,3-7,12-15H2,1-2H3;7-10,15-16H,2-6,11-14H2,1H3;3-5,8-13H,6-7,14-15H2,1-2H3;9-12,15-16H,2-8,13-14H2,1H3;1-3,6-11H,4-5,12-14H2;5-8,16H,9-12H2,1-4H3;4-8H,9-12H2,1-3H3;2,4,10,14H,3,5-9H2,1H3;4-7,14H,3,8-11H2,1-2H3;5-8H,2-4,9-11H2,1H3/q10*+1.
What are the key properties of 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[1-(4-cyclohexylphenyl)-1-oxopropan-2-yl]thian-1-ium-4-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;6-methyl-2-(1,4-oxathian-4-ium-4-yl)-3,4-dihydro-2H-naphthalen-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone?
1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[1-(4-cyclohexylphenyl)-1-oxopropan-2-yl]thian-1-ium-4-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;6-methyl-2-(1,4-oxathian-4-ium-4-yl)-3,4-dihydro-2H-naphthalen-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone has a molecular weight of 3029.61 g/mol, XLogP of 35.55, 39 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1-[1-(4-cyclohexylphenyl)-1-oxopropan-2-yl]thian-1-ium-4-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;6-methyl-2-(1,4-oxathian-4-ium-4-yl)-3,4-dihydro-2H-naphthalen-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone is sourced from PubChem (CID 158536160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158536160 — identifiers, structure, computed properties (public domain)
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