anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate);phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-(2,4,6-trimethylphenyl)sulfanium

C142H121ClF20NO20S15+ — CID 159898978

About anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate);phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-(2,4,6-trimethylphenyl)sulfanium

anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate);phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-(2,4,6-trimethylphenyl)sulfanium (PubChem CID 159898978) has the molecular formula C142H121ClF20NO20S15+ and a molecular weight of 3057.93 g/mol. Its IUPAC name is anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate);phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-(2,4,6-trimethylphenyl)sulfanium.

Molecular Properties

• Compound Name: anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate);phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-(2,4,6-trimethylphenyl)sulfanium
• PubChem CID: 159898978
• Molecular Formula: C142H121ClF20NO20S15+
• Molecular Weight: 3057.93 g/mol
• Exact Mass: 3054.37
• IUPAC Name: anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate);phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-(2,4,6-trimethylphenyl)sulfanium
• SMILES: C.C.CCOc1ccc([SH+]c2ccc(C)cc2)cc1.C[S+](CCl)c1ccccc1.Cc1cc(C)c([SH+]c2ccccc2)c(C)c1.O=C(C[S+]1CCCC1)c1ccccc1.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1cccc2cc3ccccc3cc12.Sc1ccc([SH+]c2ccccc2)cc1.[O-]OOSc1ccc2cccc(Nc3ccccc3)c2c1.[SH2+]c1ccccc1.c1ccc(Sc2ccc([SH+]c3ccccc3)cc2)cc1
• InChI: InChI=1S/C18H14S2.C16H13NO3S.C15H16OS.C15H16S.C14H10O3S.C12H15OS.C12H10S2.C8H10ClS.4C6HF5O3S.C6H6S.2CH4/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16;18-19-20-21-14-10-9-12-5-4-8-16(15(12)11-14)17-13-6-2-1-3-7-13;1-3-16-13-6-10-15(11-7-13)17-14-8-4-12(2)5-9-14;1-11-9-12(2)15(13(3)10-11)16-14-7-5-4-6-8-14;15-18(16,17)14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-10(7-9)8-5-3-2-4-6-8;4*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;7-6-4-2-1-3-5-6;;/h1-14H;1-11,17-18H;4-11H,3H2,1-2H3;4-10H,1-3H3;1-9H,(H,15,16,17);1-3,6-7H,4-5,8-10H2;1-9,13H;2-6H,7H2,1H3;4*(H,12,13,14);1-5,7H;2*1H4/q;;;;;+1;;+1;;;;;;;/p-1
• InChIKey: NVSAWKOSKMJPEW-UHFFFAOYSA-M
• XLogP: 34.71
• TPSA: 365.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3057.93
LogP ≤ 5	34.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate);phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-(2,4,6-trimethylphenyl)sulfanium?

The IUPAC name of anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate);phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-(2,4,6-trimethylphenyl)sulfanium (CID 159898978) is anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate);phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-(2,4,6-trimethylphenyl)sulfanium.

What is the SMILES notation for anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate);phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-(2,4,6-trimethylphenyl)sulfanium?

The canonical SMILES for anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate);phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-(2,4,6-trimethylphenyl)sulfanium is C.C.CCOc1ccc([SH+]c2ccc(C)cc2)cc1.C[S+](CCl)c1ccccc1.Cc1cc(C)c([SH+]c2ccccc2)c(C)c1.O=C(C[S+]1CCCC1)c1ccccc1.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1cccc2cc3ccccc3cc12.Sc1ccc([SH+]c2ccccc2)cc1.[O-]OOSc1ccc2cccc(Nc3ccccc3)c2c1.[SH2+]c1ccccc1.c1ccc(Sc2ccc([SH+]c3ccccc3)cc2)cc1.

What is the InChIKey of anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate);phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-(2,4,6-trimethylphenyl)sulfanium?

The InChIKey is NVSAWKOSKMJPEW-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14S2.C16H13NO3S.C15H16OS.C15H16S.C14H10O3S.C12H15OS.C12H10S2.C8H10ClS.4C6HF5O3S.C6H6S.2CH4/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16;18-19-20-21-14-10-9-12-5-4-8-16(15(12)11-14)17-13-6-2-1-3-7-13;1-3-16-13-6-10-15(11-7-13)17-14-8-4-12(2)5-9-14;1-11-9-12(2)15(13(3)10-11)16-14-7-5-4-6-8-14;15-18(16,17)14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-10(7-9)8-5-3-2-4-6-8;4*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;7-6-4-2-1-3-5-6;;/h1-14H;1-11,17-18H;4-11H,3H2,1-2H3;4-10H,1-3H3;1-9H,(H,15,16,17);1-3,6-7H,4-5,8-10H2;1-9,13H;2-6H,7H2,1H3;4*(H,12,13,14);1-5,7H;2*1H4/q;;;;;+1;;+1;;;;;;;/p-1.

What are the key properties of anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate);phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-(2,4,6-trimethylphenyl)sulfanium?

anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate);phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-(2,4,6-trimethylphenyl)sulfanium has a molecular weight of 3057.93 g/mol, XLogP of 34.71, 27 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for anthracene-1-sulfonate;chloromethyl-methyl-phenylsulfanium;(4-ethoxyphenyl)-(4-methylphenyl)sulfanium;methane;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;tetrakis(2,3,4,5,6-pentafluorobenzenesulfonate);phenyl-(4-phenylsulfanylphenyl)sulfanium;phenylsulfanium;phenyl-(4-sulfanylphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-(2,4,6-trimethylphenyl)sulfanium is sourced from PubChem (CID 159898978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).