3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methylbenzenesulfonate;bis(4-(4-methylphenyl)sulfonyloxybenzenesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);triphenylsulfanium

C161H165F45O40S18 — CID 160760873

IUPAC3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methylbenzenesulfonate;bis(4-(4-methylphenyl)sulfonyloxybenzenesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);triphenylsulfanium
SMILESCC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCOCC1.CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)[O-])cc2)cc1.Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)[O-])cc2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccccc1.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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23OS.C18H15S.2C13H12O6S2.2C12H15O2S.2C12H15OS.C10H19O2S.C10H19OS.C7H8O3S.5C4HF9O3S/c1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-10-2-6-13(7-3-10)21(17,18)19-11-4-8-12(9-5-11)20(14,15)16;2*13-12(11-4-2-1-3-5-11)10-15-8-6-14-7-9-15;2*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-10(2,3)9(11)8-13-6-4-12-5-7-13;1-10(2,3)9(11)8-12-6-4-5-7-12;1-6-2-4-7(5-3-6)11(8,9)10;5*5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h4-17H,1-3H3;1-15H;2*2-9H,1H3,(H,14,15,16);2*1-5H,6-10H2;2*1-3,6-7H,4-5,8-10H2;4-8H2,1-3H3;4-8H2,1-3H3;2-5H,1H3,(H,8,9,10);5*(H,14,15,16)/q2*+1;;;6*+1;;;;;;/p-8
InChIKeyQEFAKJZVMKHHNV-UHFFFAOYSA-F
MW4172.17 g/mol
LogP35.62
Rot. Bonds47

About 3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methylbenzenesulfonate;bis(4-(4-methylphenyl)sulfonyloxybenzenesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);triphenylsulfanium

3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methylbenzenesulfonate;bis(4-(4-methylphenyl)sulfonyloxybenzenesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);triphenylsulfanium (PubChem CID 160760873) has the molecular formula C161H165F45O40S18 and a molecular weight of 4172.17 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methylbenzenesulfonate;bis(4-(4-methylphenyl)sulfonyloxybenzenesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);triphenylsulfanium.

Molecular Properties

Compound Name3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methylbenzenesulfonate;bis(4-(4-methylphenyl)sulfonyloxybenzenesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);triphenylsulfanium
PubChem CID160760873
Molecular FormulaC161H165F45O40S18
Molecular Weight4172.17 g/mol
Exact Mass4168.51
IUPAC Name3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methylbenzenesulfonate;bis(4-(4-methylphenyl)sulfonyloxybenzenesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);triphenylsulfanium
SMILESCC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCOCC1.CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)[O-])cc2)cc1.Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)[O-])cc2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccccc1.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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23OS.C18H15S.2C13H12O6S2.2C12H15O2S.2C12H15OS.C10H19O2S.C10H19OS.C7H8O3S.5C4HF9O3S/c1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-10-2-6-13(7-3-10)21(17,18)19-11-4-8-12(9-5-11)20(14,15)16;2*13-12(11-4-2-1-3-5-11)10-15-8-6-14-7-9-15;2*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-10(2,3)9(11)8-13-6-4-12-5-7-13;1-10(2,3)9(11)8-12-6-4-5-7-12;1-6-2-4-7(5-3-6)11(8,9)10;5*5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h4-17H,1-3H3;1-15H;2*2-9H,1H3,(H,14,15,16);2*1-5H,6-10H2;2*1-3,6-7H,4-5,8-10H2;4-8H2,1-3H3;4-8H2,1-3H3;2-5H,1H3,(H,8,9,10);5*(H,14,15,16)/q2*+1;;;6*+1;;;;;;/p-8
InChIKeyQEFAKJZVMKHHNV-UHFFFAOYSA-F
XLogP35.62
TPSA683.68 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds47
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004172.17
LogP ≤ 535.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methylbenzenesulfonate;bis(4-(4-methylphenyl)sulfonyloxybenzenesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);triphenylsulfanium 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

[4-[4-[2-[4-[4-(4-Benzylbenzoyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[2-[4-[4-(4-benzylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;ethane;methanesulfonic acid
CID 157237745
Butane-1-sulfonic acid;1,1,2,2,3,3-hexafluorobutane-1-sulfonic acid;methanesulfonic acid;tetrakis(1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene);1-phenylethanone
CID 157645811
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
Bis((4-tert-butylphenyl)-diphenylsulfanium);bis(1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate);bis(1,1-difluoro-2-prop-2-enoyloxyethanesulfonate);dimethyl(phenyl)sulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 157663926
4-[4-(4-Ethenylphenoxy)butanoyl]benzenesulfonate;4-[6-(4-ethenylphenoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexyl]sulfanyl-2,3,5,6-tetrafluorobenzenesulfonate;4-[5-(4-ethenylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluorobenzenesulfonate;4-[6-(4-ethenylphenoxy)hexylsulfanyl]-2,3,5,6-tetrafluorobenzenesulfonate
CID 157913414
1-(4-Tert-butylphenyl)thiolan-1-ium;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-methylsulfonyloctane;1,1,1,2,2,3,3-heptafluorobutane;4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;(4-methoxyphenyl)-diphenylsulfanium;1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;triphenylsulfanium
CID 157944288
[4-[1-(2-Cyclohexylethoxy)ethoxy]phenyl]-diphenylsulfanium;tris(2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate);[4-(1-ethylcyclohexyl)oxycarbonylphenyl]-diphenylsulfanium
CID 158190643
Bis((4-tert-butylphenyl)-diphenylsulfanium);tris(1,1-difluoro-2-(2-methylprop-2-enoyloxy)ethanesulfonate);bis(1,1-difluoro-2-prop-2-enoyloxyethanesulfonate);bis(dimethyl(phenyl)sulfanium);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 158282249
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
1,1-Difluoro-2-[4-[[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methylprop-2-enoyloxy)phenyl]-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate;2-[4-[[4-(4-ethenylbenzoyl)oxyphenyl]-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate
CID 158865657
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
Butane-1-sulfonic acid;1,1,2,2,3,3-hexafluorobutane-1-sulfonic acid;methanesulfonic acid;tetrakis(1-(4-methoxyphenyl)sulfonyl-4-methylbenzene);1-phenylethanone
CID 158941865

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methylbenzenesulfonate;bis(4-(4-methylphenyl)sulfonyloxybenzenesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);triphenylsulfanium?
The IUPAC name of 3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methylbenzenesulfonate;bis(4-(4-methylphenyl)sulfonyloxybenzenesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);triphenylsulfanium (CID 160760873) is 3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methylbenzenesulfonate;bis(4-(4-methylphenyl)sulfonyloxybenzenesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);triphenylsulfanium.
What is the SMILES notation for 3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methylbenzenesulfonate;bis(4-(4-methylphenyl)sulfonyloxybenzenesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);triphenylsulfanium?
The canonical SMILES for 3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methylbenzenesulfonate;bis(4-(4-methylphenyl)sulfonyloxybenzenesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);triphenylsulfanium is CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCOCC1.CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)[O-])cc2)cc1.Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)[O-])cc2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccccc1.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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methylbenzenesulfonate;bis(4-(4-methylphenyl)sulfonyloxybenzenesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);triphenylsulfanium?
The InChIKey is QEFAKJZVMKHHNV-UHFFFAOYSA-F. The full InChI is InChI=1S/C22H23OS.C18H15S.2C13H12O6S2.2C12H15O2S.2C12H15OS.C10H19O2S.C10H19OS.C7H8O3S.5C4HF9O3S/c1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-10-2-6-13(7-3-10)21(17,18)19-11-4-8-12(9-5-11)20(14,15)16;2*13-12(11-4-2-1-3-5-11)10-15-8-6-14-7-9-15;2*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-10(2,3)9(11)8-13-6-4-12-5-7-13;1-10(2,3)9(11)8-12-6-4-5-7-12;1-6-2-4-7(5-3-6)11(8,9)10;5*5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h4-17H,1-3H3;1-15H;2*2-9H,1H3,(H,14,15,16);2*1-5H,6-10H2;2*1-3,6-7H,4-5,8-10H2;4-8H2,1-3H3;4-8H2,1-3H3;2-5H,1H3,(H,8,9,10);5*(H,14,15,16)/q2*+1;;;6*+1;;;;;;/p-8.
What are the key properties of 3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methylbenzenesulfonate;bis(4-(4-methylphenyl)sulfonyloxybenzenesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);triphenylsulfanium?
3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methylbenzenesulfonate;bis(4-(4-methylphenyl)sulfonyloxybenzenesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);triphenylsulfanium has a molecular weight of 4172.17 g/mol, XLogP of 35.62, 47 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;4-methylbenzenesulfonate;bis(4-(4-methylphenyl)sulfonyloxybenzenesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);bis(2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone);bis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);triphenylsulfanium is sourced from PubChem (CID 160760873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).