4-[3-(1-adamantyloxy)-3-oxopropyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;dibutyl(phenacyl)sulfanium;(1-methylcyclohexyl) 3-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfanylpropanoate;bis((4-methylphenyl)-diphenylsulfanium);1,2,4,5-tetrafluoro-3-[(E)-hex-2-enoxy]-6-methylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)benzene;triphenylsulfanium

C134H135F25O9S8+4 — CID 158402191

IUPAC4-[3-(1-adamantyloxy)-3-oxopropyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;dibutyl(phenacyl)sulfanium;(1-methylcyclohexyl) 3-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfanylpropanoate;bis((4-methylphenyl)-diphenylsulfanium);1,2,4,5-tetrafluoro-3-[(E)-hex-2-enoxy]-6-methylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)benzene;triphenylsulfanium
SMILESCCC/C=C/COc1c(F)c(F)c(C)c(F)c1F.CCCC[S+](CCCC)CC(=O)c1ccccc1.Cc1c(F)c(F)c(SCCC(=O)OC2(C)CCCCC2)c(F)c1F.Cc1c(F)c(F)c(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1F.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(CCSc1c(F)c(F)c(S(=O)(=O)O)c(F)c1F)OC12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H20F4O5S2.2C19H17S.C18H15S.C17H20F4O2S.C16H25OS.C13H7F13S.C13H14F4O/c20-13-15(22)18(30(25,26)27)16(23)14(21)17(13)29-2-1-12(24)28-19-6-9-3-10(7-19)5-11(4-9)8-19;2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-12(18)14(20)16(15(21)13(10)19)24-9-6-11(22)23-17(2)7-4-3-5-8-17;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-4-5(14)7(16)9(8(17)6(4)15)27-3-2-10(18,19)11(20,21)12(22,23)13(24,25)26;1-3-4-5-6-7-18-13-11(16)9(14)8(2)10(15)12(13)17/h9-11H,1-8H2,(H,25,26,27);2*2-15H,1H3;1-15H;3-9H2,1-2H3;7-11H,3-6,12-14H2,1-2H3;2-3H2,1H3;5-6H,3-4,7H2,1-2H3/q;3*+1;;+1;;/b;;;;;;;6-5+
InChIKeyGYFXMEXLXISYEJ-SXNBZGPVSA-N
MW2621.03 g/mol
LogP39.62
Rot. Bonds40

About 4-[3-(1-adamantyloxy)-3-oxopropyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;dibutyl(phenacyl)sulfanium;(1-methylcyclohexyl) 3-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfanylpropanoate;bis((4-methylphenyl)-diphenylsulfanium);1,2,4,5-tetrafluoro-3-[(E)-hex-2-enoxy]-6-methylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)benzene;triphenylsulfanium

4-[3-(1-adamantyloxy)-3-oxopropyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;dibutyl(phenacyl)sulfanium;(1-methylcyclohexyl) 3-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfanylpropanoate;bis((4-methylphenyl)-diphenylsulfanium);1,2,4,5-tetrafluoro-3-[(E)-hex-2-enoxy]-6-methylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)benzene;triphenylsulfanium (PubChem CID 158402191) has the molecular formula C134H135F25O9S8+4 and a molecular weight of 2621.03 g/mol. Its IUPAC name is 4-[3-(1-adamantyloxy)-3-oxopropyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;dibutyl(phenacyl)sulfanium;(1-methylcyclohexyl) 3-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfanylpropanoate;bis((4-methylphenyl)-diphenylsulfanium);1,2,4,5-tetrafluoro-3-[(E)-hex-2-enoxy]-6-methylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)benzene;triphenylsulfanium.

Molecular Properties

Compound Name4-[3-(1-adamantyloxy)-3-oxopropyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;dibutyl(phenacyl)sulfanium;(1-methylcyclohexyl) 3-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfanylpropanoate;bis((4-methylphenyl)-diphenylsulfanium);1,2,4,5-tetrafluoro-3-[(E)-hex-2-enoxy]-6-methylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)benzene;triphenylsulfanium
PubChem CID158402191
Molecular FormulaC134H135F25O9S8+4
Molecular Weight2621.03 g/mol
Exact Mass2618.75
IUPAC Name4-[3-(1-adamantyloxy)-3-oxopropyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;dibutyl(phenacyl)sulfanium;(1-methylcyclohexyl) 3-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfanylpropanoate;bis((4-methylphenyl)-diphenylsulfanium);1,2,4,5-tetrafluoro-3-[(E)-hex-2-enoxy]-6-methylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)benzene;triphenylsulfanium
SMILESCCC/C=C/COc1c(F)c(F)c(C)c(F)c1F.CCCC[S+](CCCC)CC(=O)c1ccccc1.Cc1c(F)c(F)c(SCCC(=O)OC2(C)CCCCC2)c(F)c1F.Cc1c(F)c(F)c(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1F.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(CCSc1c(F)c(F)c(S(=O)(=O)O)c(F)c1F)OC12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C19H20F4O5S2.2C19H17S.C18H15S.C17H20F4O2S.C16H25OS.C13H7F13S.C13H14F4O/c20-13-15(22)18(30(25,26)27)16(23)14(21)17(13)29-2-1-12(24)28-19-6-9-3-10(7-19)5-11(4-9)8-19;2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-12(18)14(20)16(15(21)13(10)19)24-9-6-11(22)23-17(2)7-4-3-5-8-17;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-4-5(14)7(16)9(8(17)6(4)15)27-3-2-10(18,19)11(20,21)12(22,23)13(24,25)26;1-3-4-5-6-7-18-13-11(16)9(14)8(2)10(15)12(13)17/h9-11H,1-8H2,(H,25,26,27);2*2-15H,1H3;1-15H;3-9H2,1-2H3;7-11H,3-6,12-14H2,1-2H3;2-3H2,1H3;5-6H,3-4,7H2,1-2H3/q;3*+1;;+1;;/b;;;;;;;6-5+
InChIKeyGYFXMEXLXISYEJ-SXNBZGPVSA-N
XLogP39.62
TPSA133.27 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds40
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002621.03
LogP ≤ 539.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-[3-(1-adamantyloxy)-3-oxopropyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;dibutyl(phenacyl)sulfanium;(1-methylcyclohexyl) 3-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfanylpropanoate;bis((4-methylphenyl)-diphenylsulfanium);1,2,4,5-tetrafluoro-3-[(E)-hex-2-enoxy]-6-methylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)benzene;triphenylsulfanium with MolForge

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Related Compounds

[5-[3-Methoxysulfonyl-4-[4-[1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]-2-[4-[1,1,1-trifluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanesulfonic acid
CID 58185860
[5-[4-[4-(4-Methoxyphenyl)phenoxy]-3-methoxysulfonylbenzoyl]-2-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanesulfonic acid
CID 58185893
3-[4-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]phenyl]sulfanylpropane-1-sulfonic acid
CID 58693264
[2-[4-[3,5-Dimethyl-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylphenoxy]-5-(3-methoxysulfonyl-4-methylbenzoyl)phenyl]methanesulfonic acid
CID 88292882
[5-Acetyl-2-[4-[3,5-dimethyl-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]-2,6-dimethylphenoxy]phenyl]methanesulfonic acid
CID 88292899
[5-Acetyl-2-[2-methyl-4-[3-methyl-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanesulfonic acid
CID 88292928
[[4-[4-(4-Methoxybenzoyl)phenyl]sulfanylphenyl]-diphenyl-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 153325701
[[4-[4-(4-Methoxybenzoyl)phenyl]sulfonylphenyl]-diphenyl-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 153325708
[[4-[4-(4-Methoxybenzoyl)phenyl]sulfinylphenyl]-diphenyl-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 153325716
Lithium;3-[4-[5-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]phenyl]sulfanylpropane-1-sulfonic acid;[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylidenecyclohexa-1,5-diene-1-carbonyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-[4-[4-methyl-3-(4-sulfanylbenzoyl)phenyl]phenyl]methanone;hydride;oxathiolane 2,2-dioxide
CID 157224354
[4-[4-[2-[4-[4-(4-Benzylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid
CID 157237745
1-(3,3-Difluorobutyl)adamantane;2,2-difluorobutyl adamantane-1-carboxylate;1-(3-fluorobutyl)adamantane;1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;(4-methoxyphenyl)-diphenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium)
CID 157382617

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-adamantyloxy)-3-oxopropyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;dibutyl(phenacyl)sulfanium;(1-methylcyclohexyl) 3-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfanylpropanoate;bis((4-methylphenyl)-diphenylsulfanium);1,2,4,5-tetrafluoro-3-[(E)-hex-2-enoxy]-6-methylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)benzene;triphenylsulfanium?
The IUPAC name of 4-[3-(1-adamantyloxy)-3-oxopropyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;dibutyl(phenacyl)sulfanium;(1-methylcyclohexyl) 3-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfanylpropanoate;bis((4-methylphenyl)-diphenylsulfanium);1,2,4,5-tetrafluoro-3-[(E)-hex-2-enoxy]-6-methylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)benzene;triphenylsulfanium (CID 158402191) is 4-[3-(1-adamantyloxy)-3-oxopropyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;dibutyl(phenacyl)sulfanium;(1-methylcyclohexyl) 3-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfanylpropanoate;bis((4-methylphenyl)-diphenylsulfanium);1,2,4,5-tetrafluoro-3-[(E)-hex-2-enoxy]-6-methylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)benzene;triphenylsulfanium.
What is the SMILES notation for 4-[3-(1-adamantyloxy)-3-oxopropyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;dibutyl(phenacyl)sulfanium;(1-methylcyclohexyl) 3-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfanylpropanoate;bis((4-methylphenyl)-diphenylsulfanium);1,2,4,5-tetrafluoro-3-[(E)-hex-2-enoxy]-6-methylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)benzene;triphenylsulfanium?
The canonical SMILES for 4-[3-(1-adamantyloxy)-3-oxopropyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;dibutyl(phenacyl)sulfanium;(1-methylcyclohexyl) 3-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfanylpropanoate;bis((4-methylphenyl)-diphenylsulfanium);1,2,4,5-tetrafluoro-3-[(E)-hex-2-enoxy]-6-methylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)benzene;triphenylsulfanium is CCC/C=C/COc1c(F)c(F)c(C)c(F)c1F.CCCC[S+](CCCC)CC(=O)c1ccccc1.Cc1c(F)c(F)c(SCCC(=O)OC2(C)CCCCC2)c(F)c1F.Cc1c(F)c(F)c(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1F.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(CCSc1c(F)c(F)c(S(=O)(=O)O)c(F)c1F)OC12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[3-(1-adamantyloxy)-3-oxopropyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;dibutyl(phenacyl)sulfanium;(1-methylcyclohexyl) 3-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfanylpropanoate;bis((4-methylphenyl)-diphenylsulfanium);1,2,4,5-tetrafluoro-3-[(E)-hex-2-enoxy]-6-methylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)benzene;triphenylsulfanium?
The InChIKey is GYFXMEXLXISYEJ-SXNBZGPVSA-N. The full InChI is InChI=1S/C19H20F4O5S2.2C19H17S.C18H15S.C17H20F4O2S.C16H25OS.C13H7F13S.C13H14F4O/c20-13-15(22)18(30(25,26)27)16(23)14(21)17(13)29-2-1-12(24)28-19-6-9-3-10(7-19)5-11(4-9)8-19;2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-12(18)14(20)16(15(21)13(10)19)24-9-6-11(22)23-17(2)7-4-3-5-8-17;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-4-5(14)7(16)9(8(17)6(4)15)27-3-2-10(18,19)11(20,21)12(22,23)13(24,25)26;1-3-4-5-6-7-18-13-11(16)9(14)8(2)10(15)12(13)17/h9-11H,1-8H2,(H,25,26,27);2*2-15H,1H3;1-15H;3-9H2,1-2H3;7-11H,3-6,12-14H2,1-2H3;2-3H2,1H3;5-6H,3-4,7H2,1-2H3/q;3*+1;;+1;;/b;;;;;;;6-5+.
What are the key properties of 4-[3-(1-adamantyloxy)-3-oxopropyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;dibutyl(phenacyl)sulfanium;(1-methylcyclohexyl) 3-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfanylpropanoate;bis((4-methylphenyl)-diphenylsulfanium);1,2,4,5-tetrafluoro-3-[(E)-hex-2-enoxy]-6-methylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)benzene;triphenylsulfanium?
4-[3-(1-adamantyloxy)-3-oxopropyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;dibutyl(phenacyl)sulfanium;(1-methylcyclohexyl) 3-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfanylpropanoate;bis((4-methylphenyl)-diphenylsulfanium);1,2,4,5-tetrafluoro-3-[(E)-hex-2-enoxy]-6-methylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)benzene;triphenylsulfanium has a molecular weight of 2621.03 g/mol, XLogP of 39.62, 40 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-adamantyloxy)-3-oxopropyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;dibutyl(phenacyl)sulfanium;(1-methylcyclohexyl) 3-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfanylpropanoate;bis((4-methylphenyl)-diphenylsulfanium);1,2,4,5-tetrafluoro-3-[(E)-hex-2-enoxy]-6-methylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)benzene;triphenylsulfanium is sourced from PubChem (CID 158402191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).