1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;(3,3-dimethyl-2-oxobutyl)-didodecylsulfanium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;hexakis(4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazolidine 1,1,3,3-tetraoxide);4-(thiolan-1-ium-1-yl)naphthalen-1-ol

C116H174F24N6O29S18+6 — CID 157208371

About 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;(3,3-dimethyl-2-oxobutyl)-didodecylsulfanium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;hexakis(4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazolidine 1,1,3,3-tetraoxide);4-(thiolan-1-ium-1-yl)naphthalen-1-ol

1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;(3,3-dimethyl-2-oxobutyl)-didodecylsulfanium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;hexakis(4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazolidine 1,1,3,3-tetraoxide);4-(thiolan-1-ium-1-yl)naphthalen-1-ol (PubChem CID 157208371) has the molecular formula C116H174F24N6O29S18+6 and a molecular weight of 3149.84 g/mol. Its IUPAC name is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;(3,3-dimethyl-2-oxobutyl)-didodecylsulfanium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;hexakis(4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazolidine 1,1,3,3-tetraoxide);4-(thiolan-1-ium-1-yl)naphthalen-1-ol.

Molecular Properties

• Compound Name: 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;(3,3-dimethyl-2-oxobutyl)-didodecylsulfanium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;hexakis(4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazolidine 1,1,3,3-tetraoxide);4-(thiolan-1-ium-1-yl)naphthalen-1-ol
• PubChem CID: 157208371
• Molecular Formula: C116H174F24N6O29S18+6
• Molecular Weight: 3149.84 g/mol
• Exact Mass: 3146.69
• IUPAC Name: 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;(3,3-dimethyl-2-oxobutyl)-didodecylsulfanium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;hexakis(4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazolidine 1,1,3,3-tetraoxide);4-(thiolan-1-ium-1-yl)naphthalen-1-ol
• SMILES: CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)c1ccc([S+]2CCCC2)cc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)C(C)(C)C.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CN1S(=O)(=O)C(F)(F)C(F)(F)S1(=O)=O.CN1S(=O)(=O)C(F)(F)C(F)(F)S1(=O)=O.CN1S(=O)(=O)C(F)(F)C(F)(F)S1(=O)=O.CN1S(=O)(=O)C(F)(F)C(F)(F)S1(=O)=O.CN1S(=O)(=O)C(F)(F)C(F)(F)S1(=O)=O.CN1S(=O)(=O)C(F)(F)C(F)(F)S1(=O)=O.Cc1cc([S+]2CCCC2)cc(C)c1O.Oc1ccc([S+]2CCCC2)c2ccccc12
• InChI: InChI=1S/C30H61OS.C18H23OS.C14H14OS.C14H21S.C12H16OS.C10H19OS.6C3H3F4NO4S2/c1-6-8-10-12-14-16-18-20-22-24-26-32(28-29(31)30(3,4)5)27-25-23-21-19-17-15-13-11-9-7-2;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;1-9-7-11(8-10(2)12(9)13)14-5-3-4-6-14;1-10(2,3)9(11)8-12-6-4-5-7-12;6*1-8-13(9,10)2(4,5)3(6,7)14(8,11)12/h6-28H2,1-5H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;1-2,5-8H,3-4,9-10H2;6-9H,4-5,10-11H2,1-3H3;7-8H,3-6H2,1-2H3;4-8H2,1-3H3;6*1H3/q2*+1;;+1;;+1;;;;;;/p+2
• InChIKey: ARPOJZAJYBJTIG-UHFFFAOYSA-P
• XLogP: 25.38
• TPSA: 512.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 34
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3149.84
LogP ≤ 5	25.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;(3,3-dimethyl-2-oxobutyl)-didodecylsulfanium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;hexakis(4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazolidine 1,1,3,3-tetraoxide);4-(thiolan-1-ium-1-yl)naphthalen-1-ol?

The IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;(3,3-dimethyl-2-oxobutyl)-didodecylsulfanium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;hexakis(4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazolidine 1,1,3,3-tetraoxide);4-(thiolan-1-ium-1-yl)naphthalen-1-ol (CID 157208371) is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;(3,3-dimethyl-2-oxobutyl)-didodecylsulfanium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;hexakis(4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazolidine 1,1,3,3-tetraoxide);4-(thiolan-1-ium-1-yl)naphthalen-1-ol.

What is the SMILES notation for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;(3,3-dimethyl-2-oxobutyl)-didodecylsulfanium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;hexakis(4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazolidine 1,1,3,3-tetraoxide);4-(thiolan-1-ium-1-yl)naphthalen-1-ol?

The canonical SMILES for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;(3,3-dimethyl-2-oxobutyl)-didodecylsulfanium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;hexakis(4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazolidine 1,1,3,3-tetraoxide);4-(thiolan-1-ium-1-yl)naphthalen-1-ol is CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)c1ccc([S+]2CCCC2)cc1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)C(C)(C)C.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CN1S(=O)(=O)C(F)(F)C(F)(F)S1(=O)=O.CN1S(=O)(=O)C(F)(F)C(F)(F)S1(=O)=O.CN1S(=O)(=O)C(F)(F)C(F)(F)S1(=O)=O.CN1S(=O)(=O)C(F)(F)C(F)(F)S1(=O)=O.CN1S(=O)(=O)C(F)(F)C(F)(F)S1(=O)=O.CN1S(=O)(=O)C(F)(F)C(F)(F)S1(=O)=O.Cc1cc([S+]2CCCC2)cc(C)c1O.Oc1ccc([S+]2CCCC2)c2ccccc12.

What is the InChIKey of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;(3,3-dimethyl-2-oxobutyl)-didodecylsulfanium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;hexakis(4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazolidine 1,1,3,3-tetraoxide);4-(thiolan-1-ium-1-yl)naphthalen-1-ol?

The InChIKey is ARPOJZAJYBJTIG-UHFFFAOYSA-P. The full InChI is InChI=1S/C30H61OS.C18H23OS.C14H14OS.C14H21S.C12H16OS.C10H19OS.6C3H3F4NO4S2/c1-6-8-10-12-14-16-18-20-22-24-26-32(28-29(31)30(3,4)5)27-25-23-21-19-17-15-13-11-9-7-2;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;1-9-7-11(8-10(2)12(9)13)14-5-3-4-6-14;1-10(2,3)9(11)8-12-6-4-5-7-12;6*1-8-13(9,10)2(4,5)3(6,7)14(8,11)12/h6-28H2,1-5H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;1-2,5-8H,3-4,9-10H2;6-9H,4-5,10-11H2,1-3H3;7-8H,3-6H2,1-2H3;4-8H2,1-3H3;6*1H3/q2*+1;;+1;;+1;;;;;;/p+2.

What are the key properties of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;(3,3-dimethyl-2-oxobutyl)-didodecylsulfanium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;hexakis(4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazolidine 1,1,3,3-tetraoxide);4-(thiolan-1-ium-1-yl)naphthalen-1-ol?

1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;(3,3-dimethyl-2-oxobutyl)-didodecylsulfanium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;hexakis(4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazolidine 1,1,3,3-tetraoxide);4-(thiolan-1-ium-1-yl)naphthalen-1-ol has a molecular weight of 3149.84 g/mol, XLogP of 25.38, 34 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;(3,3-dimethyl-2-oxobutyl)-didodecylsulfanium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;hexakis(4,4,5,5-tetrafluoro-2-methyl-1,3,2-dithiazolidine 1,1,3,3-tetraoxide);4-(thiolan-1-ium-1-yl)naphthalen-1-ol is sourced from PubChem (CID 157208371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).