ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;20-methoxy-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene;methylcyclohexane;4-oxidoperoxymorpholine;3-oxidoperoxysulfanylpropan-1-amine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;pyridine-2-carboxylate;pentakis(triphenylsulfanium)

C147H169N4O20S8+3 — CID 161186824

About ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;20-methoxy-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene;methylcyclohexane;4-oxidoperoxymorpholine;3-oxidoperoxysulfanylpropan-1-amine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;pyridine-2-carboxylate;pentakis(triphenylsulfanium)

ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;20-methoxy-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene;methylcyclohexane;4-oxidoperoxymorpholine;3-oxidoperoxysulfanylpropan-1-amine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;pyridine-2-carboxylate;pentakis(triphenylsulfanium) (PubChem CID 161186824) has the molecular formula C147H169N4O20S8+3 and a molecular weight of 2568.51 g/mol. Its IUPAC name is ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;20-methoxy-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene;methylcyclohexane;4-oxidoperoxymorpholine;3-oxidoperoxysulfanylpropan-1-amine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;pyridine-2-carboxylate;pentakis(triphenylsulfanium).

Molecular Properties

• Compound Name: ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;20-methoxy-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene;methylcyclohexane;4-oxidoperoxymorpholine;3-oxidoperoxysulfanylpropan-1-amine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;pyridine-2-carboxylate;pentakis(triphenylsulfanium)
• PubChem CID: 161186824
• Molecular Formula: C147H169N4O20S8+3
• Molecular Weight: 2568.51 g/mol
• Exact Mass: 2566.01
• IUPAC Name: ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;20-methoxy-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene;methylcyclohexane;4-oxidoperoxymorpholine;3-oxidoperoxysulfanylpropan-1-amine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;pyridine-2-carboxylate;pentakis(triphenylsulfanium)
• SMILES: C=CS(=C)O.CC1CCCCC1.CN(CCO)CCO.COc1ccc2c(c1)OCCOCCOCCOCCOCCO2.NCCCSOO[O-].O=C(C[S+]1CCCC1)c1ccccc1.O=C([O-])c1ccccn1.[O-]OON1CCOCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/5C18H15S.C17H26O7.C12H15OS.C7H14.C6H5NO2.C5H13NO2.C4H9NO4.C3H9NO3S.C3H6OS/c5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-18-15-2-3-16-17(14-15)24-13-11-22-9-7-20-5-4-19-6-8-21-10-12-23-16;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-7-5-3-2-4-6-7;8-6(9)5-3-1-2-4-7-5;1-6(2-4-7)3-5-8;6-9-8-5-1-3-7-4-2-5;4-2-1-3-8-7-6-5;1-3-5(2)4/h5*1-15H;2-3,14H,4-13H2,1H3;1-3,6-7H,4-5,8-10H2;7H,2-6H2,1H3;1-4H,(H,8,9);7-8H,2-5H2,1H3;6H,1-4H2;5H,1-4H2;3-4H,1-2H2/q5*+1;;+1;;;;;;/p-3
• InChIKey: UTEOYJWUOCARPZ-UHFFFAOYSA-K
• XLogP: 27.63
• TPSA: 320.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2568.51
LogP ≤ 5	27.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;20-methoxy-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene;methylcyclohexane;4-oxidoperoxymorpholine;3-oxidoperoxysulfanylpropan-1-amine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;pyridine-2-carboxylate;pentakis(triphenylsulfanium)?

The IUPAC name of ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;20-methoxy-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene;methylcyclohexane;4-oxidoperoxymorpholine;3-oxidoperoxysulfanylpropan-1-amine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;pyridine-2-carboxylate;pentakis(triphenylsulfanium) (CID 161186824) is ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;20-methoxy-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene;methylcyclohexane;4-oxidoperoxymorpholine;3-oxidoperoxysulfanylpropan-1-amine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;pyridine-2-carboxylate;pentakis(triphenylsulfanium).

What is the SMILES notation for ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;20-methoxy-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene;methylcyclohexane;4-oxidoperoxymorpholine;3-oxidoperoxysulfanylpropan-1-amine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;pyridine-2-carboxylate;pentakis(triphenylsulfanium)?

The canonical SMILES for ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;20-methoxy-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene;methylcyclohexane;4-oxidoperoxymorpholine;3-oxidoperoxysulfanylpropan-1-amine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;pyridine-2-carboxylate;pentakis(triphenylsulfanium) is C=CS(=C)O.CC1CCCCC1.CN(CCO)CCO.COc1ccc2c(c1)OCCOCCOCCOCCOCCO2.NCCCSOO[O-].O=C(C[S+]1CCCC1)c1ccccc1.O=C([O-])c1ccccn1.[O-]OON1CCOCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;20-methoxy-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene;methylcyclohexane;4-oxidoperoxymorpholine;3-oxidoperoxysulfanylpropan-1-amine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;pyridine-2-carboxylate;pentakis(triphenylsulfanium)?

The InChIKey is UTEOYJWUOCARPZ-UHFFFAOYSA-K. The full InChI is InChI=1S/5C18H15S.C17H26O7.C12H15OS.C7H14.C6H5NO2.C5H13NO2.C4H9NO4.C3H9NO3S.C3H6OS/c5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-18-15-2-3-16-17(14-15)24-13-11-22-9-7-20-5-4-19-6-8-21-10-12-23-16;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-7-5-3-2-4-6-7;8-6(9)5-3-1-2-4-7-5;1-6(2-4-7)3-5-8;6-9-8-5-1-3-7-4-2-5;4-2-1-3-8-7-6-5;1-3-5(2)4/h5*1-15H;2-3,14H,4-13H2,1H3;1-3,6-7H,4-5,8-10H2;7H,2-6H2,1H3;1-4H,(H,8,9);7-8H,2-5H2,1H3;6H,1-4H2;5H,1-4H2;3-4H,1-2H2/q5*+1;;+1;;;;;;/p-3.

What are the key properties of ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;20-methoxy-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene;methylcyclohexane;4-oxidoperoxymorpholine;3-oxidoperoxysulfanylpropan-1-amine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;pyridine-2-carboxylate;pentakis(triphenylsulfanium)?

ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;20-methoxy-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene;methylcyclohexane;4-oxidoperoxymorpholine;3-oxidoperoxysulfanylpropan-1-amine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;pyridine-2-carboxylate;pentakis(triphenylsulfanium) has a molecular weight of 2568.51 g/mol, XLogP of 27.63, 32 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for ethenyl-hydroxy-methylidene-λ4-sulfane;2-[2-hydroxyethyl(methyl)amino]ethanol;20-methoxy-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene;methylcyclohexane;4-oxidoperoxymorpholine;3-oxidoperoxysulfanylpropan-1-amine;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;pyridine-2-carboxylate;pentakis(triphenylsulfanium) is sourced from PubChem (CID 161186824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).