C143H209NO7S8+8 — CID 159101613
1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2-methyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone (PubChem CID 159101613) has the molecular formula C143H209NO7S8+8 and a molecular weight of 2310.78 g/mol. Its IUPAC name is 1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2-methyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone.
| Compound Name | 1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2-methyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone |
|---|---|
| PubChem CID | 159101613 |
| Molecular Formula | C143H209NO7S8+8 |
| Molecular Weight | 2310.78 g/mol |
| Exact Mass | 2308.38 |
| IUPAC Name | 1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2-methyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone |
| SMILES | CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)CC(=O)c1ccccc1.Cc1ccc(C(=O)C(C)(C)[S+]2CCCC2)cc1.Cn1cc([S+]2CCCC2)c2ccccc21.O=C(C[S+]1CCCC1)c1ccccc1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1 |
| InChI | InChI=1S/C32H57OS.C21H27OS.C20H29OS.C16H25OS.C15H21OS.C14H19OS.C13H16NS.C12H15OS/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;1-2-8-17(9-3-1)16-22-20-12-13-21(23-14-6-7-15-23)19-11-5-4-10-18(19)20;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-12-6-8-13(9-7-12)14(16)15(2,3)17-10-4-5-11-17;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;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;4-5,10-13,17H,1-3,6-9,14-16H2;10-13,16H,3-9,14-15H2,1-2H3;7-11H,3-6,12-14H2,1-2H3;6-9H,4-5,10-11H2,1-3H3;3-5,8-9H,6-7,10-11H2,1-2H3;2-3,6-7,10H,4-5,8-9H2,1H3;1-3,6-7H,4-5,8-10H2/q8*+1 |
| InChIKey | KDIXLZJMFPVGQO-UHFFFAOYSA-N |
| XLogP | 36.75 |
| TPSA | 116.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 159 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2310.78 |
| LogP ≤ 5 | 36.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'} |
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