C183H217F6O11S11+11 — CID 161414043
1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium (PubChem CID 161414043) has the molecular formula C183H217F6O11S11+11 and a molecular weight of 3059.46 g/mol. Its IUPAC name is 1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium.
| Compound Name | 1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium |
|---|---|
| PubChem CID | 161414043 |
| Molecular Formula | C183H217F6O11S11+11 |
| Molecular Weight | 3059.46 g/mol |
| Exact Mass | 3056.32 |
| IUPAC Name | 1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-(4-methoxynaphthalen-1-yl)thian-1-ium;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thian-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thian-1-ium;1-(4-propan-2-yloxynaphthalen-1-yl)thiolan-1-ium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium |
| SMILES | CC(C)(C)Oc1ccc([S+]2CCCC2)c2ccccc12.CC(C)(C)Oc1ccc([S+]2CCCCC2)c2ccccc12.CC(C)Oc1ccc([S+]2CCCC2)c2ccccc12.CC(C)Oc1ccc([S+]2CCCCC2)c2ccccc12.CCOc1ccc([S+]2CCCC2)c2ccccc12.CCOc1ccc([S+]2CCCCC2)c2ccccc12.COc1ccc([S+]2CCCC2)c2ccccc12.COc1ccc([S+]2CCCCC2)c2ccccc12.FC(F)(F)COc1ccc([S+]2CCCC2)c2ccccc12.FC(F)(F)COc1ccc([S+]2CCCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)c2ccccc12 |
| InChI | InChI=1S/C19H25OS.2C18H23OS.C17H18F3OS.2C17H21OS.C16H16F3OS.2C16H19OS.C15H17OS.C14H14OS/c1-19(2,3)20-17-11-12-18(21-13-7-4-8-14-21)16-10-6-5-9-15(16)17;1-18(2,3)19-16-10-11-17(20-12-6-7-13-20)15-9-5-4-8-14(15)16;1-14(2)19-17-10-11-18(20-12-6-3-7-13-20)16-9-5-4-8-15(16)17;18-17(19,20)12-21-15-8-9-16(22-10-4-1-5-11-22)14-7-3-2-6-13(14)15;1-13(2)18-16-9-10-17(19-11-5-6-12-19)15-8-4-3-7-14(15)16;1-2-18-16-10-11-17(19-12-6-3-7-13-19)15-9-5-4-8-14(15)16;17-16(18,19)11-20-14-7-8-15(21-9-3-4-10-21)13-6-2-1-5-12(13)14;1-17-15-9-10-16(18-11-5-2-6-12-18)14-8-4-3-7-13(14)15;1-2-17-15-9-10-16(18-11-5-6-12-18)14-8-4-3-7-13(14)15;1-16-14-8-9-15(17-10-4-5-11-17)13-7-3-2-6-12(13)14;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13/h5-6,9-12H,4,7-8,13-14H2,1-3H3;4-5,8-11H,6-7,12-13H2,1-3H3;4-5,8-11,14H,3,6-7,12-13H2,1-2H3;2-3,6-9H,1,4-5,10-12H2;3-4,7-10,13H,5-6,11-12H2,1-2H3;4-5,8-11H,2-3,6-7,12-13H2,1H3;1-2,5-8H,3-4,9-11H2;2*3-4,7-10H,2,5-6,11-12H2,1H3;2-3,6-9H,4-5,10-11H2,1H3;1-2,5-8H,3-4,9-10H2/q10*+1;/p+1 |
| InChIKey | VVVOIYCISSSDEF-UHFFFAOYSA-O |
| XLogP | 48.00 |
| TPSA | 112.53 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 211 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3059.46 |
| LogP ≤ 5 | 48.00 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'} |
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