1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;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;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;(4-methoxyphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol

C138H196O10S10+10 — CID 157070322

IUPAC1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;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;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;(4-methoxyphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol
SMILESCC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CC1(C)CC(=O)C=C(C[S+]2CCCC2)C1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.COc1ccc([SH2+])cc1.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.O=C(C[S+]1CCCC1)C1=CCCCC1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.O=C1C=CCCC1[S+]1CCCC1.Oc1ccc([S+]2CCCC2)cc1
InChIInChI=1S/C20H29OS.C18H23OS.C17H23OS.C17H25OS.C14H19OS.C13H21OS.C12H19OS.C10H12OS.C10H15OS.C7H8OS/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;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;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;1-13(2)8-11(7-12(14)9-13)10-15-5-3-4-6-15;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;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;1-8-6-2-4-7(9)5-3-6/h10-13,16H,3-9,14-15H2,1-2H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;1,3-4,9-10H,2,5-8,11-14H2;7-10,16H,5-6,11-12H2,1-4H3;3-5,8-9H,6-7,10-11H2,1-2H3;7H,3-6,8-10H2,1-2H3;6H,1-5,7-10H2;3-6H,1-2,7-8H2;1,5,10H,2-4,6-8H2;2-5,9H,1H3/q7*+1;;+1;/p+2
InChIKeyACISJLWTBVUXFG-UHFFFAOYSA-P
MW2335.75 g/mol
LogP31.04
Rot. Bonds26

About 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;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;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;(4-methoxyphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol

1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;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;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;(4-methoxyphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol (PubChem CID 157070322) has the molecular formula C138H196O10S10+10 and a molecular weight of 2335.75 g/mol. Its IUPAC name is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;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;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;(4-methoxyphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol.

Molecular Properties

Compound Name1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;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;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;(4-methoxyphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol
PubChem CID157070322
Molecular FormulaC138H196O10S10+10
Molecular Weight2335.75 g/mol
Exact Mass2333.20
IUPAC Name1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;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;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;(4-methoxyphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol
SMILESCC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CC1(C)CC(=O)C=C(C[S+]2CCCC2)C1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.COc1ccc([SH2+])cc1.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.O=C(C[S+]1CCCC1)C1=CCCCC1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.O=C1C=CCCC1[S+]1CCCC1.Oc1ccc([S+]2CCCC2)cc1
InChIInChI=1S/C20H29OS.C18H23OS.C17H23OS.C17H25OS.C14H19OS.C13H21OS.C12H19OS.C10H12OS.C10H15OS.C7H8OS/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;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;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;1-13(2)8-11(7-12(14)9-13)10-15-5-3-4-6-15;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;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;1-8-6-2-4-7(9)5-3-6/h10-13,16H,3-9,14-15H2,1-2H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;1,3-4,9-10H,2,5-8,11-14H2;7-10,16H,5-6,11-12H2,1-4H3;3-5,8-9H,6-7,10-11H2,1-2H3;7H,3-6,8-10H2,1-2H3;6H,1-5,7-10H2;3-6H,1-2,7-8H2;1,5,10H,2-4,6-8H2;2-5,9H,1H3/q7*+1;;+1;/p+2
InChIKeyACISJLWTBVUXFG-UHFFFAOYSA-P
XLogP31.04
TPSA158.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002335.75
LogP ≤ 531.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;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;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;(4-methoxyphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol with MolForge

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Launch Full Analysis

Related Compounds

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
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
CID 157474036
CID 157474036
Tris(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;bis(4-(thiolan-1-ium-1-yl)naphthalen-1-ol);1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium
CID 157611805
4-(4-Butoxy-3,5-dimethylphenyl)-1,4-oxathian-4-ium;4-(4-butoxynaphthalen-1-yl)-1,4-oxathian-4-ium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;4-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;tris(4-cyclododecylphenyl)sulfanium
CID 157746197
Bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);bis(1-(4-tert-butylphenyl)thiolan-1-ium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);[3-[difluoro(methylsulfonylazanidylsulfonyl)methyl]sulfonyl-2,2-dimethylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-(3,3-difluoro-2-oxo-3-sulfonatopropyl)benzenesulfonate;3-(2,2-difluoro-2-sulfonatoacetyl)oxypropane-1-sulfonate;3-[difluoro(sulfonato)methyl]sulfonyl-2,2-dimethylpropane-1-sulfonate;4-(1,1,2,2,3,3-hexafluoro-3-sulfonatopropyl)sulfonyloxybenzenesulfonate;bis((4-methylphenyl)-diphenylsulfanium);bis(triphenylsulfanium)
CID 157838658
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;1,2,2-trifluoropropyl adamantane-1-carboxylate;triphenylsulfanium
CID 158313387
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-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;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 158325695
3,3-Dimethyl-2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]butan-1-one;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)phenoxy]methyl]propan-2-ol;methane;2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]ethanone;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]naphthalen-1-yl]thian-1-ium-4-one;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]thian-1-ium-4-one
CID 158397563
2-(Adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)
CID 158503286
1-Butoxy-4,4,5,5,6,6,7,7-octafluorooctane;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;bis(1-(2,2-difluoropropylsulfonylmethyl)bicyclo[2.2.1]heptane);3,3,4,4,5,5-hexafluorohexylcyclohexane;methane;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoropropoxy)ethyl]cyclohexane;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;triphenylsulfanium
CID 158559687
1-(4-Butoxynaphthalen-1-yl)thiolan-1-ium;bis(4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium);1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;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 158923492

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;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;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;(4-methoxyphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol?
The IUPAC name of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;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;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;(4-methoxyphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol (CID 157070322) is 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;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;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;(4-methoxyphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol.
What is the SMILES notation for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;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;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;(4-methoxyphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol?
The canonical SMILES for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;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;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;(4-methoxyphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol is CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CC1(C)CC(=O)C=C(C[S+]2CCCC2)C1.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.COc1ccc([SH2+])cc1.Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.O=C(C[S+]1CCCC1)C1=CCCCC1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.O=C1C=CCCC1[S+]1CCCC1.Oc1ccc([S+]2CCCC2)cc1.
What is the InChIKey of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;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;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;(4-methoxyphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol?
The InChIKey is ACISJLWTBVUXFG-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H29OS.C18H23OS.C17H23OS.C17H25OS.C14H19OS.C13H21OS.C12H19OS.C10H12OS.C10H15OS.C7H8OS/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;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;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;1-13(2)8-11(7-12(14)9-13)10-15-5-3-4-6-15;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;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;1-8-6-2-4-7(9)5-3-6/h10-13,16H,3-9,14-15H2,1-2H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;1,3-4,9-10H,2,5-8,11-14H2;7-10,16H,5-6,11-12H2,1-4H3;3-5,8-9H,6-7,10-11H2,1-2H3;7H,3-6,8-10H2,1-2H3;6H,1-5,7-10H2;3-6H,1-2,7-8H2;1,5,10H,2-4,6-8H2;2-5,9H,1H3/q7*+1;;+1;/p+2.
What are the key properties of 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;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;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;(4-methoxyphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol?
1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;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;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;(4-methoxyphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol has a molecular weight of 2335.75 g/mol, XLogP of 31.04, 26 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;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;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;(4-methoxyphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol is sourced from PubChem (CID 157070322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).