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

C187H249F24O37S17+ — CID 159443673

IUPAC1,3-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
SMILESCC(C)(C)OC(F)(F)C(F)(SOO[O-])C(F)(F)F.CC(C)(C)OC(F)(F)C(F)(SOO[O-])C(F)(F)F.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)C(OC(=O)C(F)(F)SOO[O-])C(C)C.CCC(C)C(O)(C(C)CC)C(F)(F)SOO[O-].CCC(O)(CC)C(F)(F)SOO[O-].CCC(O)(CC)C(F)(F)SOO[O-].CCCCC(CCCC)(OC(=O)C(C)(C)C)C(F)(F)SOO[O-].CCCCC(O)(CCCC)C(F)(F)SOO[O-].CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(C[S+]1CCCC1)C[S+]1CCCC1.O=C(C[S+]1CCCC1)c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1
InChIInChI=1S/C22H23OS.C22H23S.2C19H17S.C15H28F2O5S.C12H15OS.C11H20OS2.2C10H20F2O4S.C9H16F2O5S.2C7H10F6O4S.2C6H12F2O4S.2C6H6S/c1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-6-8-10-14(11-9-7-2,15(16,17)23-22-21-19)20-12(18)13(3,4)5;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;12-11(9-13-5-1-2-6-13)10-14-7-3-4-8-14;1-5-7(3)9(13,8(4)6-2)10(11,12)17-16-15-14;1-3-5-7-9(13,8-6-4-2)10(11,12)17-16-15-14;1-5(2)7(6(3)4)14-8(12)9(10,11)17-16-15-13;2*1-4(2,3)15-7(12,13)5(8,6(9,10)11)18-17-16-14;2*1-3-5(9,4-2)6(7,8)13-12-11-10;2*7-6-4-2-1-3-5-6/h4-17H,2-3,18H2,1H3;4-17H,1-3H3;2*2-15H,1H3;19H,6-11H2,1-5H3;1-3,6-7H,4-5,8-10H2;1-10H2;7-8,13-14H,5-6H2,1-4H3;13-14H,3-8H2,1-2H3;5-7,13H,1-4H3;2*14H,1-3H3;2*9-10H,3-4H2,1-2H3;2*1-5,7H/q4*+1;;+1;+2;;;;;;;;;/p-6
InChIKeyLSMKBAHFPBUVBW-UHFFFAOYSA-H
MW4090.10 g/mol
LogP45.66
Rot. Bonds81

About 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

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 (PubChem CID 159443673) has the molecular formula C187H249F24O37S17+ and a molecular weight of 4090.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3-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
PubChem CID159443673
Molecular FormulaC187H249F24O37S17+
Molecular Weight4090.10 g/mol
Exact Mass4086.25
IUPAC Name1,3-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
SMILESCC(C)(C)OC(F)(F)C(F)(SOO[O-])C(F)(F)F.CC(C)(C)OC(F)(F)C(F)(SOO[O-])C(F)(F)F.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)C(OC(=O)C(F)(F)SOO[O-])C(C)C.CCC(C)C(O)(C(C)CC)C(F)(F)SOO[O-].CCC(O)(CC)C(F)(F)SOO[O-].CCC(O)(CC)C(F)(F)SOO[O-].CCCCC(CCCC)(OC(=O)C(C)(C)C)C(F)(F)SOO[O-].CCCCC(O)(CCCC)C(F)(F)SOO[O-].CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(C[S+]1CCCC1)C[S+]1CCCC1.O=C(C[S+]1CCCC1)c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1
InChIInChI=1S/C22H23OS.C22H23S.2C19H17S.C15H28F2O5S.C12H15OS.C11H20OS2.2C10H20F2O4S.C9H16F2O5S.2C7H10F6O4S.2C6H12F2O4S.2C6H6S/c1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-6-8-10-14(11-9-7-2,15(16,17)23-22-21-19)20-12(18)13(3,4)5;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;12-11(9-13-5-1-2-6-13)10-14-7-3-4-8-14;1-5-7(3)9(13,8(4)6-2)10(11,12)17-16-15-14;1-3-5-7-9(13,8-6-4-2)10(11,12)17-16-15-14;1-5(2)7(6(3)4)14-8(12)9(10,11)17-16-15-13;2*1-4(2,3)15-7(12,13)5(8,6(9,10)11)18-17-16-14;2*1-3-5(9,4-2)6(7,8)13-12-11-10;2*7-6-4-2-1-3-5-6/h4-17H,2-3,18H2,1H3;4-17H,1-3H3;2*2-15H,1H3;19H,6-11H2,1-5H3;1-3,6-7H,4-5,8-10H2;1-10H2;7-8,13-14H,5-6H2,1-4H3;13-14H,3-8H2,1-2H3;5-7,13H,1-4H3;2*14H,1-3H3;2*9-10H,3-4H2,1-2H3;2*1-5,7H/q4*+1;;+1;+2;;;;;;;;;/p-6
InChIKeyLSMKBAHFPBUVBW-UHFFFAOYSA-H
XLogP45.66
TPSA527.51 Ų
H-Bond Donors4
H-Bond Acceptors45
Rotatable Bonds81
Heavy Atoms265
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004090.10
LogP ≤ 545.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1045

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'}

Analyze 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 with MolForge

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Related Compounds

1-Adamantylmethyl 2,2-difluoropropanoate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(2-oxooxolan-3-yl) 2,2-difluoropropanoate;10-phenylphenoxathiin-10-ium;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(triphenylsulfanium)
CID 157214217
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
1-Adamantylmethyl 2,2-difluoropropanoate;bis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;10-phenylphenoxathiin-10-ium;1-phenylthian-1-ium;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(triphenylsulfanium)
CID 157312308
4-[(4-Butan-2-ylphenyl)methoxy]benzenesulfonate;bis(4-(2,2-dimethylbutanoyloxy)-1,1,2-trifluorobutane-1-sulfonate);diphenyl-[4-(1-phenylethoxycarbonyl)phenyl]sulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 157657721
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1-adamantylmethyl 2,2-difluoropropanoate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;triphenylsulfanium
CID 157828885
1-Adamantylmethyl 2,2-difluoropropanoate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl)methyl 2,2-difluoropropanoate;(5-oxooxolan-3-yl) 2,2-difluoropropanoate;10-phenylphenoxathiin-10-ium;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(triphenylsulfanium)
CID 157894008
4-(4-Tert-butylphenyl)-1,4-oxathian-4-ium;cyclohexa-1,5-dien-1-yl(diphenyl)sulfanium;tetrakis((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);methyl 2,2-difluoropropanoate;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;4-phenyl-1,4-oxathian-4-ium;10-phenylphenoxathiin-10-ium;1-phenylthian-1-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
CID 158036426
Dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;4-dodecoxy-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-dodecylsulfonyl-2,3,5,6-tetrafluorobenzenesulfonate;phenylsulfanium;1,1,2,2-tetrafluoro-1-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)tetradecane;4-(thiolan-1-ium-1-yl)phenol
CID 158529420
1-Adamantylmethyl 2,2-difluoropropanoate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;2,3,3-trifluorobutyl pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-1-carboxylate;triphenylsulfanium
CID 158798746
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(F)(F)C(F)(SOO[O-])C(F)(F)F.CC(C)(C)OC(F)(F)C(F)(SOO[O-])C(F)(F)F.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)C(OC(=O)C(F)(F)SOO[O-])C(C)C.CCC(C)C(O)(C(C)CC)C(F)(F)SOO[O-].CCC(O)(CC)C(F)(F)SOO[O-].CCC(O)(CC)C(F)(F)SOO[O-].CCCCC(CCCC)(OC(=O)C(C)(C)C)C(F)(F)SOO[O-].CCCCC(O)(CCCC)C(F)(F)SOO[O-].CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(C[S+]1CCCC1)C[S+]1CCCC1.O=C(C[S+]1CCCC1)c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.
What is the InChIKey of 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?
The InChIKey is LSMKBAHFPBUVBW-UHFFFAOYSA-H. The full InChI is InChI=1S/C22H23OS.C22H23S.2C19H17S.C15H28F2O5S.C12H15OS.C11H20OS2.2C10H20F2O4S.C9H16F2O5S.2C7H10F6O4S.2C6H12F2O4S.2C6H6S/c1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-6-8-10-14(11-9-7-2,15(16,17)23-22-21-19)20-12(18)13(3,4)5;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;12-11(9-13-5-1-2-6-13)10-14-7-3-4-8-14;1-5-7(3)9(13,8(4)6-2)10(11,12)17-16-15-14;1-3-5-7-9(13,8-6-4-2)10(11,12)17-16-15-14;1-5(2)7(6(3)4)14-8(12)9(10,11)17-16-15-13;2*1-4(2,3)15-7(12,13)5(8,6(9,10)11)18-17-16-14;2*1-3-5(9,4-2)6(7,8)13-12-11-10;2*7-6-4-2-1-3-5-6/h4-17H,2-3,18H2,1H3;4-17H,1-3H3;2*2-15H,1H3;19H,6-11H2,1-5H3;1-3,6-7H,4-5,8-10H2;1-10H2;7-8,13-14H,5-6H2,1-4H3;13-14H,3-8H2,1-2H3;5-7,13H,1-4H3;2*14H,1-3H3;2*9-10H,3-4H2,1-2H3;2*1-5,7H/q4*+1;;+1;+2;;;;;;;;;/p-6.
What are the key properties of 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?
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 has a molecular weight of 4090.10 g/mol, XLogP of 45.66, 81 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159443673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).