1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(methoxymethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(methoxymethoxy)naphthalen-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;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium

C155H190F3O11S9+9 — CID 164968265

About 1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(methoxymethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(methoxymethoxy)naphthalen-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;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium

1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(methoxymethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(methoxymethoxy)naphthalen-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;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium (PubChem CID 164968265) has the molecular formula C155H190F3O11S9+9 and a molecular weight of 2574.81 g/mol. Its IUPAC name is 1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(methoxymethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(methoxymethoxy)naphthalen-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;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium.

Molecular Properties

• Compound Name: 1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(methoxymethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(methoxymethoxy)naphthalen-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;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium
• PubChem CID: 164968265
• Molecular Formula: C155H190F3O11S9+9
• Molecular Weight: 2574.81 g/mol
• Exact Mass: 2572.17
• IUPAC Name: 1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(methoxymethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(methoxymethoxy)naphthalen-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;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-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.COCOc1ccc([S+]2CCCC2)c2ccccc12.COCOc1ccc([S+]2CCCCC2)c2ccccc12.FC(F)(F)COc1ccc([S+]2CCCCC2)c2ccccc12
• InChI: InChI=1S/C19H25OS.2C18H23OS.C17H18F3OS.C17H21O2S.2C17H21OS.C16H19O2S.C16H19OS/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;1-18-13-19-16-9-10-17(20-11-5-2-6-12-20)15-8-4-3-7-14(15)16;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;1-17-12-18-15-8-9-16(19-10-4-5-11-19)14-7-3-2-6-13(14)15;1-2-17-15-9-10-16(18-11-5-6-12-18)14-8-4-3-7-13(14)15/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;3-4,7-10H,2,5-6,11-13H2,1H3;3-4,7-10,13H,5-6,11-12H2,1-2H3;4-5,8-11H,2-3,6-7,12-13H2,1H3;2-3,6-9H,4-5,10-12H2,1H3;3-4,7-10H,2,5-6,11-12H2,1H3/q9*+1
• InChIKey: CTPVOQAGCMFLOY-UHFFFAOYSA-N
• XLogP: 40.08
• TPSA: 101.53 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 27
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2574.81
LogP ≤ 5	40.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(methoxymethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(methoxymethoxy)naphthalen-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;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium?

The IUPAC name of 1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(methoxymethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(methoxymethoxy)naphthalen-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;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium (CID 164968265) is 1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(methoxymethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(methoxymethoxy)naphthalen-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;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium.

What is the SMILES notation for 1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(methoxymethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(methoxymethoxy)naphthalen-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;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium?

The canonical SMILES for 1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(methoxymethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(methoxymethoxy)naphthalen-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;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium is 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.COCOc1ccc([S+]2CCCC2)c2ccccc12.COCOc1ccc([S+]2CCCCC2)c2ccccc12.FC(F)(F)COc1ccc([S+]2CCCCC2)c2ccccc12.

What is the InChIKey of 1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(methoxymethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(methoxymethoxy)naphthalen-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;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium?

The InChIKey is CTPVOQAGCMFLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25OS.2C18H23OS.C17H18F3OS.C17H21O2S.2C17H21OS.C16H19O2S.C16H19OS/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;1-18-13-19-16-9-10-17(20-11-5-2-6-12-20)15-8-4-3-7-14(15)16;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;1-17-12-18-15-8-9-16(19-10-4-5-11-19)14-7-3-2-6-13(14)15;1-2-17-15-9-10-16(18-11-5-6-12-18)14-8-4-3-7-13(14)15/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;3-4,7-10H,2,5-6,11-13H2,1H3;3-4,7-10,13H,5-6,11-12H2,1-2H3;4-5,8-11H,2-3,6-7,12-13H2,1H3;2-3,6-9H,4-5,10-12H2,1H3;3-4,7-10H,2,5-6,11-12H2,1H3/q9*+1.

What are the key properties of 1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(methoxymethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(methoxymethoxy)naphthalen-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;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium?

1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(methoxymethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(methoxymethoxy)naphthalen-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;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium has a molecular weight of 2574.81 g/mol, XLogP of 40.08, 27 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-ethoxynaphthalen-1-yl)thian-1-ium;1-(4-ethoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(methoxymethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(methoxymethoxy)naphthalen-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;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thian-1-ium is sourced from PubChem (CID 164968265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).