dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone

C171H218O15S12+12 — CID 161373028

IUPACdibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone
SMILESCCCC[S+](CCCC)CC(=O)c1ccc2ccccc2c1.CCCC[S+](CCCC)CC(=O)c1ccccc1.CC[S+](CC)CC(=O)c1ccccc1.COc1ccc(C(=O)C[S+]2CCCC2)cc1.C[S+](C)CC(=O)c1ccccc1.C[S+](c1ccccc1)C1CCCCC1=O.Cc1ccc(C(=O)C[S+]2CCCC2)cc1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCOCC1)c1ccccc1
InChIInChI=1S/C20H27OS.C17H19OS.C16H17O2S.C16H17OS.C16H25OS.C13H17O2S.3C13H17OS.C12H15O2S.C12H17OS.C10H13OS/c1-3-5-13-22(14-6-4-2)16-20(21)19-12-11-17-9-7-8-10-18(17)15-19;18-17(13-19-10-4-1-5-11-19)16-9-8-14-6-2-3-7-15(14)12-16;17-16(12-19-9-7-18-8-10-19)15-6-5-13-3-1-2-4-14(13)11-15;17-16(12-18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-15-12-6-4-11(5-7-12)13(14)10-16-8-2-3-9-16;1-11-4-6-12(7-5-11)13(14)10-15-8-2-3-9-15;1-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14;14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;13-12(11-4-2-1-3-5-11)10-15-8-6-14-7-9-15;1-3-14(4-2)10-12(13)11-8-6-5-7-9-11;1-12(2)8-10(11)9-6-4-3-5-7-9/h7-12,15H,3-6,13-14,16H2,1-2H3;2-3,6-9,12H,1,4-5,10-11,13H2;1-6,11H,7-10,12H2;1-2,5-8,11H,3-4,9-10,12H2;7-11H,3-6,12-14H2,1-2H3;4-7H,2-3,8-10H2,1H3;4-7H,2-3,8-10H2,1H3;2-4,7-8,13H,5-6,9-10H2,1H3;1,3-4,7-8H,2,5-6,9-11H2;1-5H,6-10H2;5-9H,3-4,10H2,1-2H3;3-7H,8H2,1-2H3/q12*+1
InChIKeyVQSFFQPVVZNJHQ-UHFFFAOYSA-N
MW2898.41 g/mol
LogP35.41
Rot. Bonds50

About dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone

dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone (PubChem CID 161373028) has the molecular formula C171H218O15S12+12 and a molecular weight of 2898.41 g/mol. Its IUPAC name is dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone.

Molecular Properties

Compound Namedibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone
PubChem CID161373028
Molecular FormulaC171H218O15S12+12
Molecular Weight2898.41 g/mol
Exact Mass2895.29
IUPAC Namedibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone
SMILESCCCC[S+](CCCC)CC(=O)c1ccc2ccccc2c1.CCCC[S+](CCCC)CC(=O)c1ccccc1.CC[S+](CC)CC(=O)c1ccccc1.COc1ccc(C(=O)C[S+]2CCCC2)cc1.C[S+](C)CC(=O)c1ccccc1.C[S+](c1ccccc1)C1CCCCC1=O.Cc1ccc(C(=O)C[S+]2CCCC2)cc1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCOCC1)c1ccccc1
InChIInChI=1S/C20H27OS.C17H19OS.C16H17O2S.C16H17OS.C16H25OS.C13H17O2S.3C13H17OS.C12H15O2S.C12H17OS.C10H13OS/c1-3-5-13-22(14-6-4-2)16-20(21)19-12-11-17-9-7-8-10-18(17)15-19;18-17(13-19-10-4-1-5-11-19)16-9-8-14-6-2-3-7-15(14)12-16;17-16(12-19-9-7-18-8-10-19)15-6-5-13-3-1-2-4-14(13)11-15;17-16(12-18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-15-12-6-4-11(5-7-12)13(14)10-16-8-2-3-9-16;1-11-4-6-12(7-5-11)13(14)10-15-8-2-3-9-15;1-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14;14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;13-12(11-4-2-1-3-5-11)10-15-8-6-14-7-9-15;1-3-14(4-2)10-12(13)11-8-6-5-7-9-11;1-12(2)8-10(11)9-6-4-3-5-7-9/h7-12,15H,3-6,13-14,16H2,1-2H3;2-3,6-9,12H,1,4-5,10-11,13H2;1-6,11H,7-10,12H2;1-2,5-8,11H,3-4,9-10,12H2;7-11H,3-6,12-14H2,1-2H3;4-7H,2-3,8-10H2,1H3;4-7H,2-3,8-10H2,1H3;2-4,7-8,13H,5-6,9-10H2,1H3;1,3-4,7-8H,2,5-6,9-11H2;1-5H,6-10H2;5-9H,3-4,10H2,1-2H3;3-7H,8H2,1-2H3/q12*+1
InChIKeyVQSFFQPVVZNJHQ-UHFFFAOYSA-N
XLogP35.41
TPSA232.53 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds50
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002898.41
LogP ≤ 535.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Octakis(2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate);1-(4-tert-butylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-methoxyphenyl)-3,3-dimethyl-2-(thian-1-ium-1-yl)butan-1-one;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylpropan-1-one;2-methyl-1-phenyl-2-(thian-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-phenyl-2-(thian-1-ium-1-yl)ethanone
CID 157325207
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-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;4-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium
CID 159574893
Octakis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);1-(4-tert-butylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;1-(4-methoxyphenyl)-3,3-dimethyl-2-(thian-1-ium-1-yl)butan-1-one;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thian-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-phenyl-2-(thian-1-ium-1-yl)ethanone
CID 160602587
S-[3,6,7,10,11-pentakis[(4-methoxybenzoyl)sulfanyl]triphenylen-2-yl] 4-methoxybenzenecarbothioate
CID 54030980
S-[6,7,11-tris[(4-methoxybenzoyl)sulfanyl]-3-[(4-methoxyphenyl)methylsulfanyl]-10-(4-methylbenzoyl)sulfanyltriphenylen-2-yl] 4-methylbenzenecarbothioate
CID 54303539
S-[6-[(4-methoxyphenyl)methylsulfanyl]-7,10-bis[(4-methylbenzoyl)sulfanyl]-11-(4-methylcyclohexa-1,5-diene-1-carbonyl)sulfanyl-3-[[4-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]methylsulfanyl]triphenylen-2-yl] 4-methylbenzenecarbothioate
CID 54522240
Ethane-1,2-dithiol;[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;2-(4-methoxyphenyl)-2-[4-[4-[2-[4-[2-(4-methylphenyl)-1,3-dithiolan-2-yl]phenyl]-1,3-dithiolan-2-yl]phenoxy]phenyl]-1,3-dithiolane
CID 157122418
1-(4-Cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;didodecyl(phenacyl)sulfanium;dioctyl(phenacyl)sulfanium;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;ethyl-phenacyl-propan-2-ylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one
CID 157122525
1-(6-Acetylnaphthalen-2-yl)ethanone;1-[4-[2-(4-acetylphenoxy)ethoxy]phenyl]ethanone;1-[4-(4-acetylphenoxy)phenyl]ethanone;1-(3-acetylphenyl)ethanone;1-(4-acetylphenyl)ethanone;1-[4-(4-acetylphenyl)phenyl]ethanone;1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone
CID 157294692
1-(4-Cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone
CID 157496142
3,3-Dimethyl-1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;1-(4-methoxyphenyl)-3,3-dimethyl-2-(thian-1-ium-1-yl)butan-1-one;1-(4-methoxyphenyl)-3,3-dimethyl-2-(thiolan-1-ium-1-yl)butan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone
CID 157498374
1-(3,5-Dimethylphenyl)-2-(thian-1-ium-1-yl)ethanone;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone
CID 157661528

Frequently Asked Questions

What is the IUPAC name of dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone?
The IUPAC name of dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone (CID 161373028) is dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone.
What is the SMILES notation for dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone?
The canonical SMILES for dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone is CCCC[S+](CCCC)CC(=O)c1ccc2ccccc2c1.CCCC[S+](CCCC)CC(=O)c1ccccc1.CC[S+](CC)CC(=O)c1ccccc1.COc1ccc(C(=O)C[S+]2CCCC2)cc1.C[S+](C)CC(=O)c1ccccc1.C[S+](c1ccccc1)C1CCCCC1=O.Cc1ccc(C(=O)C[S+]2CCCC2)cc1.O=C(C[S+]1CCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCCCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccc2ccccc2c1.O=C(C[S+]1CCOCC1)c1ccccc1.
What is the InChIKey of dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone?
The InChIKey is VQSFFQPVVZNJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27OS.C17H19OS.C16H17O2S.C16H17OS.C16H25OS.C13H17O2S.3C13H17OS.C12H15O2S.C12H17OS.C10H13OS/c1-3-5-13-22(14-6-4-2)16-20(21)19-12-11-17-9-7-8-10-18(17)15-19;18-17(13-19-10-4-1-5-11-19)16-9-8-14-6-2-3-7-15(14)12-16;17-16(12-19-9-7-18-8-10-19)15-6-5-13-3-1-2-4-14(13)11-15;17-16(12-18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15;1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-15-12-6-4-11(5-7-12)13(14)10-16-8-2-3-9-16;1-11-4-6-12(7-5-11)13(14)10-15-8-2-3-9-15;1-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14;14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;13-12(11-4-2-1-3-5-11)10-15-8-6-14-7-9-15;1-3-14(4-2)10-12(13)11-8-6-5-7-9-11;1-12(2)8-10(11)9-6-4-3-5-7-9/h7-12,15H,3-6,13-14,16H2,1-2H3;2-3,6-9,12H,1,4-5,10-11,13H2;1-6,11H,7-10,12H2;1-2,5-8,11H,3-4,9-10,12H2;7-11H,3-6,12-14H2,1-2H3;4-7H,2-3,8-10H2,1H3;4-7H,2-3,8-10H2,1H3;2-4,7-8,13H,5-6,9-10H2,1H3;1,3-4,7-8H,2,5-6,9-11H2;1-5H,6-10H2;5-9H,3-4,10H2,1-2H3;3-7H,8H2,1-2H3/q12*+1.
What are the key properties of dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone?
dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone has a molecular weight of 2898.41 g/mol, XLogP of 35.41, 50 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(2-naphthalen-2-yl-2-oxoethyl)sulfanium;dibutyl(phenacyl)sulfanium;diethyl(phenacyl)sulfanium;dimethyl(phenacyl)sulfanium;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanone;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone is sourced from PubChem (CID 161373028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).