dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);bis(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);4-(thiolan-1-ium-1-yl)phenol

C214H316F8O18S14+10 — CID 157296948

IUPACdibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);bis(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);4-(thiolan-1-ium-1-yl)phenol
SMILESCC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CC(C)C(=O)C(C)(C)[S+]1CCCC1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCC[S+](CCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)C(C(=O)c1ccc(C)cc1)C(C)(C)C.CCCC[S+](CCCC)CC(=O)c1ccccc1.COc1ccc(C(=O)C(C)(C)[S+]2CCCC2)cc1.Cc1c(F)c(F)c(SOO[O-])c(F)c1F.Cc1c(F)c(F)c(SOO[O-])c(F)c1F.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.Oc1ccc([S+]2CCCC2)cc1.[SH2+]c1ccccc1
InChIInChI=1S/C32H57OS.C24H41OS.C21H35OS.2C17H23OS.C17H25OS.C16H25OS.C15H21O2S.C14H19OS.C11H21OS.C10H12OS.2C7H4F4O3S.C6H6S/c1-3-5-7-9-11-13-15-17-19-24-28-34(30-32(33)31-26-22-21-23-27-31)29-25-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-16-20-26(21-17-12-10-8-6-4-2)22-24(25)23-18-14-13-15-19-23;1-7-9-15-23(16-10-8-2)20(21(4,5)6)19(22)18-13-11-17(3)12-14-18;2*18-16(15-9-3-1-4-10-15)17(11-5-2-6-12-17)19-13-7-8-14-19;1-13-7-9-14(10-8-13)15(18)16(17(2,3)4)19-11-5-6-12-19;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-15(2,18-10-4-5-11-18)14(16)12-6-8-13(17-3)9-7-12;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;1-9(2)10(12)11(3,4)13-7-5-6-8-13;11-9-3-5-10(6-4-9)12-7-1-2-8-12;2*1-2-3(8)5(10)7(15-14-13-12)6(11)4(2)9;7-6-4-2-1-3-5-6/h21-23,26-27H,3-20,24-25,28-30H2,1-2H3;13-15,18-19H,3-12,16-17,20-22H2,1-2H3;11-14,20H,7-10,15-16H2,1-6H3;2*1,3-4,9-10H,2,5-8,11-14H2;7-10,16H,5-6,11-12H2,1-4H3;7-11H,3-6,12-14H2,1-2H3;6-9H,4-5,10-11H2,1-3H3;3-5,8-9H,6-7,10-11H2,1-2H3;9H,5-8H2,1-4H3;3-6H,1-2,7-8H2;2*12H,1H3;1-5,7H/q10*+1;;;;
InChIKeyBBLLTGXNTZZLEG-UHFFFAOYSA-N
MW3777.79 g/mol
LogP54.72
Rot. Bonds86

About dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);bis(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);4-(thiolan-1-ium-1-yl)phenol

dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);bis(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);4-(thiolan-1-ium-1-yl)phenol (PubChem CID 157296948) has the molecular formula C214H316F8O18S14+10 and a molecular weight of 3777.79 g/mol. Its IUPAC name is dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);bis(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);4-(thiolan-1-ium-1-yl)phenol.

Molecular Properties

Compound Namedibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);bis(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);4-(thiolan-1-ium-1-yl)phenol
PubChem CID157296948
Molecular FormulaC214H316F8O18S14+10
Molecular Weight3777.79 g/mol
Exact Mass3773.97
IUPAC Namedibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);bis(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);4-(thiolan-1-ium-1-yl)phenol
SMILESCC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CC(C)C(=O)C(C)(C)[S+]1CCCC1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCC[S+](CCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)C(C(=O)c1ccc(C)cc1)C(C)(C)C.CCCC[S+](CCCC)CC(=O)c1ccccc1.COc1ccc(C(=O)C(C)(C)[S+]2CCCC2)cc1.Cc1c(F)c(F)c(SOO[O-])c(F)c1F.Cc1c(F)c(F)c(SOO[O-])c(F)c1F.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.Oc1ccc([S+]2CCCC2)cc1.[SH2+]c1ccccc1
InChIInChI=1S/C32H57OS.C24H41OS.C21H35OS.2C17H23OS.C17H25OS.C16H25OS.C15H21O2S.C14H19OS.C11H21OS.C10H12OS.2C7H4F4O3S.C6H6S/c1-3-5-7-9-11-13-15-17-19-24-28-34(30-32(33)31-26-22-21-23-27-31)29-25-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-16-20-26(21-17-12-10-8-6-4-2)22-24(25)23-18-14-13-15-19-23;1-7-9-15-23(16-10-8-2)20(21(4,5)6)19(22)18-13-11-17(3)12-14-18;2*18-16(15-9-3-1-4-10-15)17(11-5-2-6-12-17)19-13-7-8-14-19;1-13-7-9-14(10-8-13)15(18)16(17(2,3)4)19-11-5-6-12-19;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-15(2,18-10-4-5-11-18)14(16)12-6-8-13(17-3)9-7-12;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;1-9(2)10(12)11(3,4)13-7-5-6-8-13;11-9-3-5-10(6-4-9)12-7-1-2-8-12;2*1-2-3(8)5(10)7(15-14-13-12)6(11)4(2)9;7-6-4-2-1-3-5-6/h21-23,26-27H,3-20,24-25,28-30H2,1-2H3;13-15,18-19H,3-12,16-17,20-22H2,1-2H3;11-14,20H,7-10,15-16H2,1-6H3;2*1,3-4,9-10H,2,5-8,11-14H2;7-10,16H,5-6,11-12H2,1-4H3;7-11H,3-6,12-14H2,1-2H3;6-9H,4-5,10-11H2,1-3H3;3-5,8-9H,6-7,10-11H2,1-2H3;9H,5-8H2,1-4H3;3-6H,1-2,7-8H2;2*12H,1H3;1-5,7H/q10*+1;;;;
InChIKeyBBLLTGXNTZZLEG-UHFFFAOYSA-N
XLogP54.72
TPSA283.20 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds86
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003777.79
LogP ≤ 554.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);bis(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);4-(thiolan-1-ium-1-yl)phenol with MolForge

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Related Compounds

Bis((4-butoxyphenyl)-diphenylsulfanium);(4-tert-butylphenyl)sulfanium;(4-carboxyphenyl)-diphenylsulfanium;bis((4-cyclohexylphenyl)-diphenylsulfanium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);(1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-methylsulfonylazanide;tris((1,1,2,2,3,3-hexafluoro-3-fluorosulfonylpropyl)sulfonyl-(trifluoromethylsulfonyl)azanide);pentakis(1,1,2,2,3,3-hexafluoro-3-oxidoperoxysulfanylpropane-1-sulfonyl fluoride);1,1,2,2,3,3-hexafluoro-3-[(2,3,4,5,6-pentafluorophenyl)sulfonylsulfamoyl]propane-1-sulfonyl fluoride;tetrakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(2,2,3,3-tetrafluoro-3-oxidoperoxysulfanylpropanoyl fluoride)
CID 157258067
Tetrakis((4-butoxyphenyl)-diphenylsulfanium);bis((4-tert-butylphenyl)sulfanium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-6-oxidoperoxysulfanylbenzene;hexakis(1,2,4,5-tetrafluoro-3-methylsulfanyl-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)-6-oxidoperoxysulfanylbenzene
CID 158928380
Cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-dodecoxy-2,3,5,6-tetrafluoro-4-methylbenzene;phenylsulfanium;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;4-(thiolan-1-ium-1-yl)phenol
CID 158938153
Tris(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;tetrakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(1-(thiolan-1-ium-1-yl)butan-2-one);trifluoromethanesulfonate
CID 159072305
1-Cyclohex-3-en-1-yl-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;2,2-difluoro-1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;3,3-dimethyl-1-(4-methylcyclohex-3-en-1-yl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;ethyl-(2-hydroxyethyl)-phenacylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one
CID 159408153
1,3-Bis(thiolan-1-ium-1-yl)propan-2-one;(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;4-[difluoro(oxidoperoxysulfanyl)methyl]-3,5-dimethylheptan-4-ol;5-[difluoro(oxidoperoxysulfanyl)methyl]nonan-5-ol;5-[difluoro(oxidoperoxysulfanyl)methyl]nonan-5-yl 2,2-dimethylpropanoate;bis(3-[difluoro(oxidoperoxysulfanyl)methyl]pentan-3-ol);2,4-dimethylpentan-3-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis(2-(1,1,2,3,3,3-hexafluoro-2-oxidoperoxysulfanylpropoxy)-2-methylpropane);bis((4-methylphenyl)-diphenylsulfanium);phenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
CID 159443673
Dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane
CID 159977223
Dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;didodecyl(phenacyl)sulfanium;2,2-difluoro-1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;dioctyl(phenacyl)sulfanium;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;ethyl-(2-hydroxyethyl)-phenacylsulfanium;ethyl-phenacyl-propan-2-ylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one
CID 159995880
1-(4-Cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;tris(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);tris(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;heptakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(1-(thiolan-1-ium-1-yl)butan-2-one);bis(trifluoromethanesulfonate)
CID 160438945
CID 160697013
CID 160697013
Dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;2,2-difluoro-1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;dioctyl(phenacyl)sulfanium;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;dodecyl-methyl-phenacylsulfanium;ethyl-(2-hydroxyethyl)-phenacylsulfanium;ethyl-phenacyl-propan-2-ylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one
CID 160745749
Dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;bis(didodecyl(phenacyl)sulfanium);2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);tris(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);1-[[4,4,5,5-tetrafluoro-5-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)pentoxy]methyl]adamantane;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)propane;4-(thiolan-1-ium-1-yl)phenol
CID 160910427

Frequently Asked Questions

What is the IUPAC name of dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);bis(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);4-(thiolan-1-ium-1-yl)phenol?
The IUPAC name of dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);bis(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);4-(thiolan-1-ium-1-yl)phenol (CID 157296948) is dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);bis(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);4-(thiolan-1-ium-1-yl)phenol.
What is the SMILES notation for dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);bis(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);4-(thiolan-1-ium-1-yl)phenol?
The canonical SMILES for dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);bis(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);4-(thiolan-1-ium-1-yl)phenol is CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CC(C)C(=O)C(C)(C)[S+]1CCCC1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCC[S+](CCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)C(C(=O)c1ccc(C)cc1)C(C)(C)C.CCCC[S+](CCCC)CC(=O)c1ccccc1.COc1ccc(C(=O)C(C)(C)[S+]2CCCC2)cc1.Cc1c(F)c(F)c(SOO[O-])c(F)c1F.Cc1c(F)c(F)c(SOO[O-])c(F)c1F.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.Oc1ccc([S+]2CCCC2)cc1.[SH2+]c1ccccc1.
What is the InChIKey of dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);bis(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);4-(thiolan-1-ium-1-yl)phenol?
The InChIKey is BBLLTGXNTZZLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H57OS.C24H41OS.C21H35OS.2C17H23OS.C17H25OS.C16H25OS.C15H21O2S.C14H19OS.C11H21OS.C10H12OS.2C7H4F4O3S.C6H6S/c1-3-5-7-9-11-13-15-17-19-24-28-34(30-32(33)31-26-22-21-23-27-31)29-25-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-16-20-26(21-17-12-10-8-6-4-2)22-24(25)23-18-14-13-15-19-23;1-7-9-15-23(16-10-8-2)20(21(4,5)6)19(22)18-13-11-17(3)12-14-18;2*18-16(15-9-3-1-4-10-15)17(11-5-2-6-12-17)19-13-7-8-14-19;1-13-7-9-14(10-8-13)15(18)16(17(2,3)4)19-11-5-6-12-19;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-15(2,18-10-4-5-11-18)14(16)12-6-8-13(17-3)9-7-12;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;1-9(2)10(12)11(3,4)13-7-5-6-8-13;11-9-3-5-10(6-4-9)12-7-1-2-8-12;2*1-2-3(8)5(10)7(15-14-13-12)6(11)4(2)9;7-6-4-2-1-3-5-6/h21-23,26-27H,3-20,24-25,28-30H2,1-2H3;13-15,18-19H,3-12,16-17,20-22H2,1-2H3;11-14,20H,7-10,15-16H2,1-6H3;2*1,3-4,9-10H,2,5-8,11-14H2;7-10,16H,5-6,11-12H2,1-4H3;7-11H,3-6,12-14H2,1-2H3;6-9H,4-5,10-11H2,1-3H3;3-5,8-9H,6-7,10-11H2,1-2H3;9H,5-8H2,1-4H3;3-6H,1-2,7-8H2;2*12H,1H3;1-5,7H/q10*+1;;;;.
What are the key properties of dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);bis(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);4-(thiolan-1-ium-1-yl)phenol?
dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);bis(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);4-(thiolan-1-ium-1-yl)phenol has a molecular weight of 3777.79 g/mol, XLogP of 54.72, 86 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;dioctyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenylsulfanium;bis(phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone);bis(1,2,4,5-tetrafluoro-3-methyl-6-oxidoperoxysulfanylbenzene);4-(thiolan-1-ium-1-yl)phenol is sourced from PubChem (CID 157296948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).