bis(2-hydroxyethyl)-phenacylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one

C132H155F54O27S13+ — CID 159319894

IUPACbis(2-hydroxyethyl)-phenacylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one
SMILESCC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCC[S+](CCCC)CC(=O)c1ccc(C)cc1.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.O=C(C[S+](CCO)CCO)c1ccccc1.O=C1C=CCCC1[S+]1CCCC1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H29OS.C18H23OS.C17H25OS.C17H27OS.C14H19OS.C12H17O3S.C10H15OS.6C4HF9O3S/c1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-13-7-9-14(10-8-13)15(18)16(17(2,3)4)19-11-5-6-12-19;1-4-6-12-19(13-7-5-2)14-17(18)16-10-8-15(3)9-11-16;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;13-6-8-16(9-7-14)10-12(15)11-4-2-1-3-5-11;11-9-5-1-2-6-10(9)12-7-3-4-8-12;6*5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h10-13,16H,3-9,14-15H2,1-2H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;7-10,16H,5-6,11-12H2,1-4H3;8-11H,4-7,12-14H2,1-3H3;3-5,8-9H,6-7,10-11H2,1-2H3;1-5,13-14H,6-10H2;1,5,10H,2-4,6-8H2;6*(H,14,15,16)/q7*+1;;;;;;/p-6
InChIKeyLDPXXTWLUVKQQN-UHFFFAOYSA-H
MW3616.43 g/mol
LogP35.26
Rot. Bonds50

About bis(2-hydroxyethyl)-phenacylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one

bis(2-hydroxyethyl)-phenacylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one (PubChem CID 159319894) has the molecular formula C132H155F54O27S13+ and a molecular weight of 3616.43 g/mol. Its IUPAC name is bis(2-hydroxyethyl)-phenacylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Namebis(2-hydroxyethyl)-phenacylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one
PubChem CID159319894
Molecular FormulaC132H155F54O27S13+
Molecular Weight3616.43 g/mol
Exact Mass3613.63
IUPAC Namebis(2-hydroxyethyl)-phenacylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one
SMILESCC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCC[S+](CCCC)CC(=O)c1ccc(C)cc1.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.O=C(C[S+](CCO)CCO)c1ccccc1.O=C1C=CCCC1[S+]1CCCC1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H29OS.C18H23OS.C17H25OS.C17H27OS.C14H19OS.C12H17O3S.C10H15OS.6C4HF9O3S/c1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-13-7-9-14(10-8-13)15(18)16(17(2,3)4)19-11-5-6-12-19;1-4-6-12-19(13-7-5-2)14-17(18)16-10-8-15(3)9-11-16;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;13-6-8-16(9-7-14)10-12(15)11-4-2-1-3-5-11;11-9-5-1-2-6-10(9)12-7-3-4-8-12;6*5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h10-13,16H,3-9,14-15H2,1-2H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;7-10,16H,5-6,11-12H2,1-4H3;8-11H,4-7,12-14H2,1-3H3;3-5,8-9H,6-7,10-11H2,1-2H3;1-5,13-14H,6-10H2;1,5,10H,2-4,6-8H2;6*(H,14,15,16)/q7*+1;;;;;;/p-6
InChIKeyLDPXXTWLUVKQQN-UHFFFAOYSA-H
XLogP35.26
TPSA495.31 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds50
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003616.43
LogP ≤ 535.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

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

Analyze bis(2-hydroxyethyl)-phenacylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

[4-[3-[4-[8-[Dihydroxy-oxo-(oxolan-3-ylmethyl)-lambda6-sulfanyl]-6-[2-(oxolan-3-yl)ethyl]naphthalen-2-yl]oxy-3-[2-(oxolan-3-yl)ethyl]benzoyl]-4-[4-(4-fluorobenzoyl)phenyl]phenyl]phenyl]-(4-fluorophenyl)methanone
CID 58769571
[1-(4-Butoxynaphthalen-1-yl)thiolan-1-yl] 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;[1-(2-naphthalen-2-yl-2-oxoethyl)thiolan-1-yl] trifluoromethanesulfonate
CID 139973418
1-(4-Butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-cyclohexyl-2-(thiolan-1-ium-1-yl)ethanone;(3,3-dimethyl-2-oxobutyl)-didodecylsulfanium;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;heptakis(4,4,5,5-tetrafluoro-1,3,2-dithiazolidine 1,1,3,3-tetraoxide);1-(thiolan-1-ium-1-yl)butan-2-one
CID 157091168
1-(4-Butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium;naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium
CID 157135510
3,3-difluorobutan-2-yl adamantane-1-carboxylate;3,3-difluorobutan-2-yl 4-oxoadamantane-1-carboxylate;2,2-difluoropropyl adamantane-1-carboxylate;2,2-difluoropropyl 4-oxoadamantane-1-carboxylate;2-[4-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyloxy]butanoyloxy]-3,3,3-trifluoropropane-1-sulfonate;methane;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium;bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol)
CID 157159628
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;tetrakis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);4-(thiolan-1-ium-1-yl)naphthalen-1-ol;bis(1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium)
CID 157167834
2-(2-Bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,2,2-tetrafluoroethanesulfonate;3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;(4-cyclohexyloxyphenyl)-diphenylsulfanium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1,2,2,3,3-hexafluoro-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-1-sulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;(4-hydroxyphenyl)-dimethylsulfanium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propane-2-sulfonate;bis(1,1,1-trifluoro-2-methyl-3-(4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)propane-2-sulfonate);triphenylsulfanium
CID 157292661
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;bis(2-[(4-diphenylsulfoniofuran-2-yl)methylsulfanyl]-2-oxoethanesulfonate);1-naphthalen-1-ylthiolan-1-ium;2-oxo-2-[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxyethanesulfonate;bis(triphenylsulfanium)
CID 157389146
Bis(1-adamantylmethyl 2,2-difluoropropanoate);1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;bis(2,2-difluoropropyl adamantane-1-carboxylate);3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-(4-phenoxyphenyl)butan-1-one;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;4-(4-propoxynaphthalen-1-yl)-1,4-oxathian-4-ium;2,3,3-trifluorobutyl adamantane-1-carboxylate
CID 157412530
3-[3-[Butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate
CID 157435628
Bis(2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate);bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium
CID 157444616
CID 157474036
CID 157474036

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)-phenacylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one?
The IUPAC name of bis(2-hydroxyethyl)-phenacylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one (CID 159319894) is bis(2-hydroxyethyl)-phenacylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one.
What is the SMILES notation for bis(2-hydroxyethyl)-phenacylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one?
The canonical SMILES for bis(2-hydroxyethyl)-phenacylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one is CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCC[S+](CCCC)CC(=O)c1ccc(C)cc1.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.O=C(C[S+](CCO)CCO)c1ccccc1.O=C1C=CCCC1[S+]1CCCC1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of bis(2-hydroxyethyl)-phenacylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one?
The InChIKey is LDPXXTWLUVKQQN-UHFFFAOYSA-H. The full InChI is InChI=1S/C20H29OS.C18H23OS.C17H25OS.C17H27OS.C14H19OS.C12H17O3S.C10H15OS.6C4HF9O3S/c1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-13-7-9-14(10-8-13)15(18)16(17(2,3)4)19-11-5-6-12-19;1-4-6-12-19(13-7-5-2)14-17(18)16-10-8-15(3)9-11-16;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;13-6-8-16(9-7-14)10-12(15)11-4-2-1-3-5-11;11-9-5-1-2-6-10(9)12-7-3-4-8-12;6*5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h10-13,16H,3-9,14-15H2,1-2H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;7-10,16H,5-6,11-12H2,1-4H3;8-11H,4-7,12-14H2,1-3H3;3-5,8-9H,6-7,10-11H2,1-2H3;1-5,13-14H,6-10H2;1,5,10H,2-4,6-8H2;6*(H,14,15,16)/q7*+1;;;;;;/p-6.
What are the key properties of bis(2-hydroxyethyl)-phenacylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one?
bis(2-hydroxyethyl)-phenacylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one has a molecular weight of 3616.43 g/mol, XLogP of 35.26, 50 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)-phenacylsulfanium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 159319894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).