bis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate

C126H112F24O16S9+2 — CID 157493759

IUPACbis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate
SMILESCC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCC(C)(C)c1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1.Cc1c(F)c(F)c(F)c(F)c1F.Cc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.Cc1cc(C)c([S+](c2ccccc2)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.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C24H25S.C23H24O2S.C21H21S.C14H19OS.C12H15OS.C7H3F5.C7H4F4O3S.3C6HF5O3S/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-4-23(2,3)17-5-11-20(12-6-17)26(21-13-7-18(24)8-14-21)22-15-9-19(25)10-16-22;1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-2-3(8)5(10)7(12)6(11)4(2)9;1-2-3(8)5(10)7(15(12,13)14)6(11)4(2)9;3*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h2-3,6-9,12-20H,1,4-5,10-11H2;5-16H,4H2,1-3H3,(H-,24,25);4-15H,1-3H3;3-5,8-9H,6-7,10-11H2,1-2H3;1-3,6-7H,4-5,8-10H2;1H3;1H3,(H,12,13,14);3*(H,12,13,14)/q+1;;3*+1;;;;;/p-2
InChIKeyBXORSLPFXCDSHQ-UHFFFAOYSA-L
MW2626.82 g/mol
LogP32.11
Rot. Bonds22

About bis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate

bis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate (PubChem CID 157493759) has the molecular formula C126H112F24O16S9+2 and a molecular weight of 2626.82 g/mol. Its IUPAC name is bis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate.

Molecular Properties

Compound Namebis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate
PubChem CID157493759
Molecular FormulaC126H112F24O16S9+2
Molecular Weight2626.82 g/mol
Exact Mass2624.50
IUPAC Namebis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate
SMILESCC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCC(C)(C)c1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1.Cc1c(F)c(F)c(F)c(F)c1F.Cc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.Cc1cc(C)c([S+](c2ccccc2)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.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C24H25S.C23H24O2S.C21H21S.C14H19OS.C12H15OS.C7H3F5.C7H4F4O3S.3C6HF5O3S/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-4-23(2,3)17-5-11-20(12-6-17)26(21-13-7-18(24)8-14-21)22-15-9-19(25)10-16-22;1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-2-3(8)5(10)7(12)6(11)4(2)9;1-2-3(8)5(10)7(15(12,13)14)6(11)4(2)9;3*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h2-3,6-9,12-20H,1,4-5,10-11H2;5-16H,4H2,1-3H3,(H-,24,25);4-15H,1-3H3;3-5,8-9H,6-7,10-11H2,1-2H3;1-3,6-7H,4-5,8-10H2;1H3;1H3,(H,12,13,14);3*(H,12,13,14)/q+1;;3*+1;;;;;/p-2
InChIKeyBXORSLPFXCDSHQ-UHFFFAOYSA-L
XLogP32.11
TPSA300.57 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002626.82
LogP ≤ 532.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze bis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate?
The IUPAC name of bis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate (CID 157493759) is bis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate.
What is the SMILES notation for bis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate?
The canonical SMILES for bis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate is CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCC(C)(C)c1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1.Cc1c(F)c(F)c(F)c(F)c1F.Cc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.Cc1cc(C)c([S+](c2ccccc2)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.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of bis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate?
The InChIKey is BXORSLPFXCDSHQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H25S.C23H24O2S.C21H21S.C14H19OS.C12H15OS.C7H3F5.C7H4F4O3S.3C6HF5O3S/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-4-23(2,3)17-5-11-20(12-6-17)26(21-13-7-18(24)8-14-21)22-15-9-19(25)10-16-22;1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-2-3(8)5(10)7(12)6(11)4(2)9;1-2-3(8)5(10)7(15(12,13)14)6(11)4(2)9;3*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h2-3,6-9,12-20H,1,4-5,10-11H2;5-16H,4H2,1-3H3,(H-,24,25);4-15H,1-3H3;3-5,8-9H,6-7,10-11H2,1-2H3;1-3,6-7H,4-5,8-10H2;1H3;1H3,(H,12,13,14);3*(H,12,13,14)/q+1;;3*+1;;;;;/p-2.
What are the key properties of bis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate?
bis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate has a molecular weight of 2626.82 g/mol, XLogP of 32.11, 22 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate is sourced from PubChem (CID 157493759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).