1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol

C149H164F72O32S16 — CID 159243273

IUPAC1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol
SMILESCC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCCC[S+](CCCC)C(C(=O)c1ccc(C)cc1)C(C)(C)C.CCCC[S+](CCCC)CC(=O)c1ccccc1.C[S+](C)c1ccc(O)c2ccccc12.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.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.Oc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)cc1
InChIInChI=1S/C21H35OS.C20H29OS.C16H25OS.C14H14OS.C14H19OS.C12H12OS.C10H12OS.C10H15OS.8C4HF9O3S/c1-7-9-15-23(16-10-8-2)20(21(4,5)6)19(22)18-13-11-17(3)12-14-18;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;1-14(2)12-8-7-11(13)9-5-3-4-6-10(9)12;11-9-3-5-10(6-4-9)12-7-1-2-8-12;11-9-5-1-2-6-10(9)12-7-3-4-8-12;8*5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h11-14,20H,7-10,15-16H2,1-6H3;10-13,16H,3-9,14-15H2,1-2H3;7-11H,3-6,12-14H2,1-2H3;1-2,5-8H,3-4,9-10H2;3-5,8-9H,6-7,10-11H2,1-2H3;3-8H,1-2H3;3-6H,1-2,7-8H2;1,5,10H,2-4,6-8H2;8*(H,14,15,16)/q3*+1;;+1;;;+1;;;;;;;;/p-5
InChIKeyKUIZZAUEEBJXNM-UHFFFAOYSA-I
MW4347.85 g/mol
LogP43.67
Rot. Bonds53

About 1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol

1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol (PubChem CID 159243273) has the molecular formula C149H164F72O32S16 and a molecular weight of 4347.85 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol
PubChem CID159243273
Molecular FormulaC149H164F72O32S16
Molecular Weight4347.85 g/mol
Exact Mass4344.56
IUPAC Name1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol
SMILESCC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCCC[S+](CCCC)C(C(=O)c1ccc(C)cc1)C(C)(C)C.CCCC[S+](CCCC)CC(=O)c1ccccc1.C[S+](C)c1ccc(O)c2ccccc12.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.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.Oc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)cc1
InChIInChI=1S/C21H35OS.C20H29OS.C16H25OS.C14H14OS.C14H19OS.C12H12OS.C10H12OS.C10H15OS.8C4HF9O3S/c1-7-9-15-23(16-10-8-2)20(21(4,5)6)19(22)18-13-11-17(3)12-14-18;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;1-14(2)12-8-7-11(13)9-5-3-4-6-10(9)12;11-9-3-5-10(6-4-9)12-7-1-2-8-12;11-9-5-1-2-6-10(9)12-7-3-4-8-12;8*5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h11-14,20H,7-10,15-16H2,1-6H3;10-13,16H,3-9,14-15H2,1-2H3;7-11H,3-6,12-14H2,1-2H3;1-2,5-8H,3-4,9-10H2;3-5,8-9H,6-7,10-11H2,1-2H3;3-8H,1-2H3;3-6H,1-2,7-8H2;1,5,10H,2-4,6-8H2;8*(H,14,15,16)/q3*+1;;+1;;;+1;;;;;;;;/p-5
InChIKeyKUIZZAUEEBJXNM-UHFFFAOYSA-I
XLogP43.67
TPSA603.64 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds53
Heavy Atoms269
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004347.85
LogP ≤ 543.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Analyze 1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol with MolForge

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Related Compounds

1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;methanesulfonate;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol
CID 159862782
1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;bis(1-(3,4-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone);hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);1-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(thiolan-1-ium-1-yl)ethanone;2-(thiolan-1-ium-1-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 159278620
butyl-phenacyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);phenacyl(diphenyl)sulfanium
CID 161337535
1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)phenol;nonaacetate
CID 158254688
1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol
CID 158279523
bis(2-hydroxyethyl)-phenacylsulfanium;dibutyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;1-oxidoperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)hexan-1-one;1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-(thiolan-1-ium-1-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 158412910
[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-1-oxo-1-phenylbutan-2-yl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-phenylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;[4-[2-(thiolan-1-ium-1-yl)acetyl]phenyl] adamantane-1-carboxylate
CID 159080469
bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate
CID 158360002
(4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium
CID 157156265
bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);dioctyl(phenacyl)sulfanium;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tetrakis((2,3,4,5,6-pentafluorophenyl)boranuide);phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;heptahexafluorophosphate
CID 159640471
2,6-bis(hydroxymethyl)-4-(thiolan-1-ium-1-yl)phenol;butyl-methyl-phenacylsulfanium;(4,7-dihydroxynaphthalen-1-yl)-dimethylsulfanium;(4,8-dihydroxynaphthalen-1-yl)-dimethylsulfanium;dimethyl(phenacyl)sulfanium;2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;1-phenylthiolan-1-ium;4-(thiolan-1-ium-1-yl)phenol
CID 159134049
tris(4-amino-N-octylsulfonylbenzenesulfonamide);8-amino-N-octylsulfonylnaphthalene-1-sulfonamide;tert-butyl N-[4-(octylsulfonylsulfamoyl)phenyl]carbamate;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis(1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide);1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2-(4-methylphenyl)-3H-pyrrole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
CID 158427265

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol?
The IUPAC name of 1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol (CID 159243273) is 1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol?
The canonical SMILES for 1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol is CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCCC[S+](CCCC)C(C(=O)c1ccc(C)cc1)C(C)(C)C.CCCC[S+](CCCC)CC(=O)c1ccccc1.C[S+](C)c1ccc(O)c2ccccc12.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.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.Oc1ccc([S+]2CCCC2)c2ccccc12.Oc1ccc([S+]2CCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol?
The InChIKey is KUIZZAUEEBJXNM-UHFFFAOYSA-I. The full InChI is InChI=1S/C21H35OS.C20H29OS.C16H25OS.C14H14OS.C14H19OS.C12H12OS.C10H12OS.C10H15OS.8C4HF9O3S/c1-7-9-15-23(16-10-8-2)20(21(4,5)6)19(22)18-13-11-17(3)12-14-18;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;15-13-7-8-14(16-9-3-4-10-16)12-6-2-1-5-11(12)13;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;1-14(2)12-8-7-11(13)9-5-3-4-6-10(9)12;11-9-3-5-10(6-4-9)12-7-1-2-8-12;11-9-5-1-2-6-10(9)12-7-3-4-8-12;8*5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h11-14,20H,7-10,15-16H2,1-6H3;10-13,16H,3-9,14-15H2,1-2H3;7-11H,3-6,12-14H2,1-2H3;1-2,5-8H,3-4,9-10H2;3-5,8-9H,6-7,10-11H2,1-2H3;3-8H,1-2H3;3-6H,1-2,7-8H2;1,5,10H,2-4,6-8H2;8*(H,14,15,16)/q3*+1;;+1;;;+1;;;;;;;;/p-5.
What are the key properties of 1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol?
1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol has a molecular weight of 4347.85 g/mol, XLogP of 43.67, 53 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol is sourced from PubChem (CID 159243273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).