5-[[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]-methylamino]naphthalene-1-sulfonate;4-[2-(5-butan-2-ylnaphthalen-1-yl)oxyacetyl]oxybenzenesulfonate;4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]oxybenzenesulfonate;2-(4-butan-2-ylnaphthalen-1-yl)oxycarbonylbenzenesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)

C150H151NO24S8 — CID 159871176

IUPAC5-[[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]-methylamino]naphthalene-1-sulfonate;4-[2-(5-butan-2-ylnaphthalen-1-yl)oxyacetyl]oxybenzenesulfonate;4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]oxybenzenesulfonate;2-(4-butan-2-ylnaphthalen-1-yl)oxycarbonylbenzenesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)
SMILESCC(C)(C)C(=O)C[S+]1CCCC1.CCC(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)[O-])c2ccccc12.CCC(C)c1ccc2cc(OCC(=O)N(C)c3cccc4c(S(=O)(=O)[O-])cccc34)ccc2c1.CCC(C)c1ccc2cc(OCC(=O)Oc3ccc(S(=O)(=O)[O-])cc3)ccc2c1.CCC(C)c1cccc2c(OCC(=O)Oc3ccc(S(=O)(=O)[O-])cc3)cccc12.O=C(C[S+]1CCCC1)c1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H27NO5S.2C22H22O6S.C21H20O5S.2C18H15S.C12H15OS.C10H19OS/c1-4-18(2)19-11-12-21-16-22(14-13-20(21)15-19)33-17-27(29)28(3)25-9-5-8-24-23(25)7-6-10-26(24)34(30,31)32;1-3-15(2)18-6-4-8-20-19(18)7-5-9-21(20)27-14-22(23)28-16-10-12-17(13-11-16)29(24,25)26;1-3-15(2)16-4-5-18-13-20(7-6-17(18)12-16)27-14-22(23)28-19-8-10-21(11-9-19)29(24,25)26;1-3-14(2)15-12-13-19(17-9-5-4-8-16(15)17)26-21(22)18-10-6-7-11-20(18)27(23,24)25;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-10(2,3)9(11)8-12-6-4-5-7-12/h5-16,18H,4,17H2,1-3H3,(H,30,31,32);2*4-13,15H,3,14H2,1-2H3,(H,24,25,26);4-14H,3H2,1-2H3,(H,23,24,25);2*1-15H;1-3,6-7H,4-5,8-10H2;4-8H2,1-3H3/q;;;;4*+1/p-4
InChIKeyNSJBSYFJSSHUJM-UHFFFAOYSA-J
MW2608.38 g/mol
LogP32.27
Rot. Bonds37

About 5-[[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]-methylamino]naphthalene-1-sulfonate;4-[2-(5-butan-2-ylnaphthalen-1-yl)oxyacetyl]oxybenzenesulfonate;4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]oxybenzenesulfonate;2-(4-butan-2-ylnaphthalen-1-yl)oxycarbonylbenzenesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)

5-[[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]-methylamino]naphthalene-1-sulfonate;4-[2-(5-butan-2-ylnaphthalen-1-yl)oxyacetyl]oxybenzenesulfonate;4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]oxybenzenesulfonate;2-(4-butan-2-ylnaphthalen-1-yl)oxycarbonylbenzenesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium) (PubChem CID 159871176) has the molecular formula C150H151NO24S8 and a molecular weight of 2608.38 g/mol. Its IUPAC name is 5-[[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]-methylamino]naphthalene-1-sulfonate;4-[2-(5-butan-2-ylnaphthalen-1-yl)oxyacetyl]oxybenzenesulfonate;4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]oxybenzenesulfonate;2-(4-butan-2-ylnaphthalen-1-yl)oxycarbonylbenzenesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium).

Molecular Properties

Compound Name5-[[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]-methylamino]naphthalene-1-sulfonate;4-[2-(5-butan-2-ylnaphthalen-1-yl)oxyacetyl]oxybenzenesulfonate;4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]oxybenzenesulfonate;2-(4-butan-2-ylnaphthalen-1-yl)oxycarbonylbenzenesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)
PubChem CID159871176
Molecular FormulaC150H151NO24S8
Molecular Weight2608.38 g/mol
Exact Mass2605.84
IUPAC Name5-[[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]-methylamino]naphthalene-1-sulfonate;4-[2-(5-butan-2-ylnaphthalen-1-yl)oxyacetyl]oxybenzenesulfonate;4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]oxybenzenesulfonate;2-(4-butan-2-ylnaphthalen-1-yl)oxycarbonylbenzenesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)
SMILESCC(C)(C)C(=O)C[S+]1CCCC1.CCC(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)[O-])c2ccccc12.CCC(C)c1ccc2cc(OCC(=O)N(C)c3cccc4c(S(=O)(=O)[O-])cccc34)ccc2c1.CCC(C)c1ccc2cc(OCC(=O)Oc3ccc(S(=O)(=O)[O-])cc3)ccc2c1.CCC(C)c1cccc2c(OCC(=O)Oc3ccc(S(=O)(=O)[O-])cc3)cccc12.O=C(C[S+]1CCCC1)c1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H27NO5S.2C22H22O6S.C21H20O5S.2C18H15S.C12H15OS.C10H19OS/c1-4-18(2)19-11-12-21-16-22(14-13-20(21)15-19)33-17-27(29)28(3)25-9-5-8-24-23(25)7-6-10-26(24)34(30,31)32;1-3-15(2)18-6-4-8-20-19(18)7-5-9-21(20)27-14-22(23)28-16-10-12-17(13-11-16)29(24,25)26;1-3-15(2)16-4-5-18-13-20(7-6-17(18)12-16)27-14-22(23)28-19-8-10-21(11-9-19)29(24,25)26;1-3-14(2)15-12-13-19(17-9-5-4-8-16(15)17)26-21(22)18-10-6-7-11-20(18)27(23,24)25;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-10(2,3)9(11)8-12-6-4-5-7-12/h5-16,18H,4,17H2,1-3H3,(H,30,31,32);2*4-13,15H,3,14H2,1-2H3,(H,24,25,26);4-14H,3H2,1-2H3,(H,23,24,25);2*1-15H;1-3,6-7H,4-5,8-10H2;4-8H2,1-3H3/q;;;;4*+1/p-4
InChIKeyNSJBSYFJSSHUJM-UHFFFAOYSA-J
XLogP32.27
TPSA389.84 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds37
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002608.38
LogP ≤ 532.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 5-[[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]-methylamino]naphthalene-1-sulfonate;4-[2-(5-butan-2-ylnaphthalen-1-yl)oxyacetyl]oxybenzenesulfonate;4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]oxybenzenesulfonate;2-(4-butan-2-ylnaphthalen-1-yl)oxycarbonylbenzenesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]-methylamino]naphthalene-1-sulfonate;4-[2-(5-butan-2-ylnaphthalen-1-yl)oxyacetyl]oxybenzenesulfonate;4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]oxybenzenesulfonate;2-(4-butan-2-ylnaphthalen-1-yl)oxycarbonylbenzenesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)?
The IUPAC name of 5-[[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]-methylamino]naphthalene-1-sulfonate;4-[2-(5-butan-2-ylnaphthalen-1-yl)oxyacetyl]oxybenzenesulfonate;4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]oxybenzenesulfonate;2-(4-butan-2-ylnaphthalen-1-yl)oxycarbonylbenzenesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium) (CID 159871176) is 5-[[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]-methylamino]naphthalene-1-sulfonate;4-[2-(5-butan-2-ylnaphthalen-1-yl)oxyacetyl]oxybenzenesulfonate;4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]oxybenzenesulfonate;2-(4-butan-2-ylnaphthalen-1-yl)oxycarbonylbenzenesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium).
What is the SMILES notation for 5-[[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]-methylamino]naphthalene-1-sulfonate;4-[2-(5-butan-2-ylnaphthalen-1-yl)oxyacetyl]oxybenzenesulfonate;4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]oxybenzenesulfonate;2-(4-butan-2-ylnaphthalen-1-yl)oxycarbonylbenzenesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)?
The canonical SMILES for 5-[[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]-methylamino]naphthalene-1-sulfonate;4-[2-(5-butan-2-ylnaphthalen-1-yl)oxyacetyl]oxybenzenesulfonate;4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]oxybenzenesulfonate;2-(4-butan-2-ylnaphthalen-1-yl)oxycarbonylbenzenesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium) is CC(C)(C)C(=O)C[S+]1CCCC1.CCC(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)[O-])c2ccccc12.CCC(C)c1ccc2cc(OCC(=O)N(C)c3cccc4c(S(=O)(=O)[O-])cccc34)ccc2c1.CCC(C)c1ccc2cc(OCC(=O)Oc3ccc(S(=O)(=O)[O-])cc3)ccc2c1.CCC(C)c1cccc2c(OCC(=O)Oc3ccc(S(=O)(=O)[O-])cc3)cccc12.O=C(C[S+]1CCCC1)c1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-[[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]-methylamino]naphthalene-1-sulfonate;4-[2-(5-butan-2-ylnaphthalen-1-yl)oxyacetyl]oxybenzenesulfonate;4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]oxybenzenesulfonate;2-(4-butan-2-ylnaphthalen-1-yl)oxycarbonylbenzenesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)?
The InChIKey is NSJBSYFJSSHUJM-UHFFFAOYSA-J. The full InChI is InChI=1S/C27H27NO5S.2C22H22O6S.C21H20O5S.2C18H15S.C12H15OS.C10H19OS/c1-4-18(2)19-11-12-21-16-22(14-13-20(21)15-19)33-17-27(29)28(3)25-9-5-8-24-23(25)7-6-10-26(24)34(30,31)32;1-3-15(2)18-6-4-8-20-19(18)7-5-9-21(20)27-14-22(23)28-16-10-12-17(13-11-16)29(24,25)26;1-3-15(2)16-4-5-18-13-20(7-6-17(18)12-16)27-14-22(23)28-19-8-10-21(11-9-19)29(24,25)26;1-3-14(2)15-12-13-19(17-9-5-4-8-16(15)17)26-21(22)18-10-6-7-11-20(18)27(23,24)25;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-10(2,3)9(11)8-12-6-4-5-7-12/h5-16,18H,4,17H2,1-3H3,(H,30,31,32);2*4-13,15H,3,14H2,1-2H3,(H,24,25,26);4-14H,3H2,1-2H3,(H,23,24,25);2*1-15H;1-3,6-7H,4-5,8-10H2;4-8H2,1-3H3/q;;;;4*+1/p-4.
What are the key properties of 5-[[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]-methylamino]naphthalene-1-sulfonate;4-[2-(5-butan-2-ylnaphthalen-1-yl)oxyacetyl]oxybenzenesulfonate;4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]oxybenzenesulfonate;2-(4-butan-2-ylnaphthalen-1-yl)oxycarbonylbenzenesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)?
5-[[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]-methylamino]naphthalene-1-sulfonate;4-[2-(5-butan-2-ylnaphthalen-1-yl)oxyacetyl]oxybenzenesulfonate;4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]oxybenzenesulfonate;2-(4-butan-2-ylnaphthalen-1-yl)oxycarbonylbenzenesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium) has a molecular weight of 2608.38 g/mol, XLogP of 32.27, 37 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]-methylamino]naphthalene-1-sulfonate;4-[2-(5-butan-2-ylnaphthalen-1-yl)oxyacetyl]oxybenzenesulfonate;4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyacetyl]oxybenzenesulfonate;2-(4-butan-2-ylnaphthalen-1-yl)oxycarbonylbenzenesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium) is sourced from PubChem (CID 159871176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).