(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-henicosoxy-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxodecoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-pentadecoxyethanesulfonate;1,1-difluoro-2-oxo-2-pentoxyethanesulfonate;1,1-difluoro-2-oxo-2-[2-[2-[2-(2-propylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethoxy]ethanesulfonate;2-(3,3-dimethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium

C213H288F14O39S18 — CID 159429424

IUPAC(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-henicosoxy-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxodecoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-pentadecoxyethanesulfonate;1,1-difluoro-2-oxo-2-pentoxyethanesulfonate;1,1-difluoro-2-oxo-2-[2-[2-[2-(2-propylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethoxy]ethanesulfonate;2-(3,3-dimethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium
SMILESCC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCC(C)(C)CCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCC(=O)CCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCCCCCCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCSCCSCCSCCSCCOC(=O)C(F)(F)S(=O)(=O)[O-].Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.O=C(C[S+]1CCCC1)c1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H44F2O5S.C22H23OS.C22H23S.C21H21S.2C18H15S.C17H32F2O5S.C13H24F2O5S5.C12H20F2O6S.C12H15OS.C10H18F2O5S.C10H19OS.C8H14F2O5S.C7H12F2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-22(26)23(24,25)31(27,28)29;1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-16(20)17(18,19)25(21,22)23;1-2-4-21-6-8-23-10-11-24-9-7-22-5-3-20-12(16)13(14,15)25(17,18)19;1-2-3-4-7-10(15)8-5-6-9-20-11(16)12(13,14)21(17,18)19;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-4-5-9(2,3)6-7-17-8(13)10(11,12)18(14,15)16;1-10(2,3)9(11)8-12-6-4-5-7-12;1-2-3-4-5-6-15-7(11)8(9,10)16(12,13)14;1-2-3-4-5-14-6(10)7(8,9)15(11,12)13/h2-21H2,1H3,(H,27,28,29);4-17H,2-3,18H2,1H3;4-17H,1-3H3;4-15H,1-3H3;2*1-15H;2-15H2,1H3,(H,21,22,23);2-11H2,1H3,(H,17,18,19);2-9H2,1H3,(H,17,18,19);1-3,6-7H,4-5,8-10H2;4-7H2,1-3H3,(H,14,15,16);4-8H2,1-3H3;2-6H2,1H3,(H,12,13,14);2-5H2,1H3,(H,11,12,13)/q;5*+1;;;;+1;;+1;;/p-7
InChIKeyLQUIZAZKAUMEJS-UHFFFAOYSA-G
MW4315.79 g/mol
LogP52.45
Rot. Bonds109

About (4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-henicosoxy-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxodecoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-pentadecoxyethanesulfonate;1,1-difluoro-2-oxo-2-pentoxyethanesulfonate;1,1-difluoro-2-oxo-2-[2-[2-[2-(2-propylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethoxy]ethanesulfonate;2-(3,3-dimethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium

(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-henicosoxy-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxodecoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-pentadecoxyethanesulfonate;1,1-difluoro-2-oxo-2-pentoxyethanesulfonate;1,1-difluoro-2-oxo-2-[2-[2-[2-(2-propylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethoxy]ethanesulfonate;2-(3,3-dimethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium (PubChem CID 159429424) has the molecular formula C213H288F14O39S18 and a molecular weight of 4315.79 g/mol. Its IUPAC name is (4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-henicosoxy-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxodecoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-pentadecoxyethanesulfonate;1,1-difluoro-2-oxo-2-pentoxyethanesulfonate;1,1-difluoro-2-oxo-2-[2-[2-[2-(2-propylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethoxy]ethanesulfonate;2-(3,3-dimethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium.

Molecular Properties

Compound Name(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-henicosoxy-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxodecoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-pentadecoxyethanesulfonate;1,1-difluoro-2-oxo-2-pentoxyethanesulfonate;1,1-difluoro-2-oxo-2-[2-[2-[2-(2-propylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethoxy]ethanesulfonate;2-(3,3-dimethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium
PubChem CID159429424
Molecular FormulaC213H288F14O39S18
Molecular Weight4315.79 g/mol
Exact Mass4311.53
IUPAC Name(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-henicosoxy-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxodecoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-pentadecoxyethanesulfonate;1,1-difluoro-2-oxo-2-pentoxyethanesulfonate;1,1-difluoro-2-oxo-2-[2-[2-[2-(2-propylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethoxy]ethanesulfonate;2-(3,3-dimethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium
SMILESCC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCC(C)(C)CCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCC(=O)CCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCCCCCCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCSCCSCCSCCSCCOC(=O)C(F)(F)S(=O)(=O)[O-].Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.O=C(C[S+]1CCCC1)c1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H44F2O5S.C22H23OS.C22H23S.C21H21S.2C18H15S.C17H32F2O5S.C13H24F2O5S5.C12H20F2O6S.C12H15OS.C10H18F2O5S.C10H19OS.C8H14F2O5S.C7H12F2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-22(26)23(24,25)31(27,28)29;1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-16(20)17(18,19)25(21,22)23;1-2-4-21-6-8-23-10-11-24-9-7-22-5-3-20-12(16)13(14,15)25(17,18)19;1-2-3-4-7-10(15)8-5-6-9-20-11(16)12(13,14)21(17,18)19;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-4-5-9(2,3)6-7-17-8(13)10(11,12)18(14,15)16;1-10(2,3)9(11)8-12-6-4-5-7-12;1-2-3-4-5-6-15-7(11)8(9,10)16(12,13)14;1-2-3-4-5-14-6(10)7(8,9)15(11,12)13/h2-21H2,1H3,(H,27,28,29);4-17H,2-3,18H2,1H3;4-17H,1-3H3;4-15H,1-3H3;2*1-15H;2-15H2,1H3,(H,21,22,23);2-11H2,1H3,(H,17,18,19);2-9H2,1H3,(H,17,18,19);1-3,6-7H,4-5,8-10H2;4-7H2,1-3H3,(H,14,15,16);4-8H2,1-3H3;2-6H2,1H3,(H,12,13,14);2-5H2,1H3,(H,11,12,13)/q;5*+1;;;;+1;;+1;;/p-7
InChIKeyLQUIZAZKAUMEJS-UHFFFAOYSA-G
XLogP52.45
TPSA644.94 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds109
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004315.79
LogP ≤ 552.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze (4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-henicosoxy-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxodecoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-pentadecoxyethanesulfonate;1,1-difluoro-2-oxo-2-pentoxyethanesulfonate;1,1-difluoro-2-oxo-2-[2-[2-[2-(2-propylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethoxy]ethanesulfonate;2-(3,3-dimethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium 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-Tert-butoxyphenyldiphenylsulfonium 1,1,3,3,3-pentafluoro-2-benzoyloxypropane-1-sulfonate
CID 23149382
(4-Methacryloyloxyphenyl)diphenylsulfonium 1,1,3,3,3-pentafluoro-2-benzoyloxypropane-1-sulfonate
CID 23149408
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 57737974
3-[4-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]phenyl]sulfanylpropane-1-sulfonic acid
CID 58693264
5-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]propan-2-yl]-2-sulfophenoxy]benzoyl]phenoxy]-3-(trioxidanylsulfanyl)phenyl]propan-2-yl]-2-methoxybenzenesulfonic acid
CID 58922238
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 59165225
4-[[4-[4-(4-Fluorobenzoyl)phenoxy]phenyl]-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(4-sulfophenyl)methyl]benzenesulfonic acid
CID 59648950
(4-Methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone
CID 88564613
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 91161784
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone;1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1,2,4,5-tetrafluoro-3-methoxy-6-[2,3,5,6-tetrafluoro-4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]benzene
CID 91589465
(4-Methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene
CID 123343272
(4-Methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene;1,2,4,5-tetrafluoro-3-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-(4-methoxy-3,5-dimethylphenyl)sulfonyl-2,6-dimethylphenoxy]phenyl]benzene;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]benzene
CID 123398461

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-henicosoxy-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxodecoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-pentadecoxyethanesulfonate;1,1-difluoro-2-oxo-2-pentoxyethanesulfonate;1,1-difluoro-2-oxo-2-[2-[2-[2-(2-propylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethoxy]ethanesulfonate;2-(3,3-dimethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium?
The IUPAC name of (4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-henicosoxy-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxodecoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-pentadecoxyethanesulfonate;1,1-difluoro-2-oxo-2-pentoxyethanesulfonate;1,1-difluoro-2-oxo-2-[2-[2-[2-(2-propylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethoxy]ethanesulfonate;2-(3,3-dimethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium (CID 159429424) is (4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-henicosoxy-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxodecoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-pentadecoxyethanesulfonate;1,1-difluoro-2-oxo-2-pentoxyethanesulfonate;1,1-difluoro-2-oxo-2-[2-[2-[2-(2-propylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethoxy]ethanesulfonate;2-(3,3-dimethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium.
What is the SMILES notation for (4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-henicosoxy-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxodecoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-pentadecoxyethanesulfonate;1,1-difluoro-2-oxo-2-pentoxyethanesulfonate;1,1-difluoro-2-oxo-2-[2-[2-[2-(2-propylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethoxy]ethanesulfonate;2-(3,3-dimethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium?
The canonical SMILES for (4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-henicosoxy-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxodecoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-pentadecoxyethanesulfonate;1,1-difluoro-2-oxo-2-pentoxyethanesulfonate;1,1-difluoro-2-oxo-2-[2-[2-[2-(2-propylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethoxy]ethanesulfonate;2-(3,3-dimethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium is CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCC(C)(C)CCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCC(=O)CCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCCCCCCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCSCCSCCSCCSCCOC(=O)C(F)(F)S(=O)(=O)[O-].Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.O=C(C[S+]1CCCC1)c1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-henicosoxy-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxodecoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-pentadecoxyethanesulfonate;1,1-difluoro-2-oxo-2-pentoxyethanesulfonate;1,1-difluoro-2-oxo-2-[2-[2-[2-(2-propylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethoxy]ethanesulfonate;2-(3,3-dimethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium?
The InChIKey is LQUIZAZKAUMEJS-UHFFFAOYSA-G. The full InChI is InChI=1S/C23H44F2O5S.C22H23OS.C22H23S.C21H21S.2C18H15S.C17H32F2O5S.C13H24F2O5S5.C12H20F2O6S.C12H15OS.C10H18F2O5S.C10H19OS.C8H14F2O5S.C7H12F2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-22(26)23(24,25)31(27,28)29;1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-16(20)17(18,19)25(21,22)23;1-2-4-21-6-8-23-10-11-24-9-7-22-5-3-20-12(16)13(14,15)25(17,18)19;1-2-3-4-7-10(15)8-5-6-9-20-11(16)12(13,14)21(17,18)19;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-4-5-9(2,3)6-7-17-8(13)10(11,12)18(14,15)16;1-10(2,3)9(11)8-12-6-4-5-7-12;1-2-3-4-5-6-15-7(11)8(9,10)16(12,13)14;1-2-3-4-5-14-6(10)7(8,9)15(11,12)13/h2-21H2,1H3,(H,27,28,29);4-17H,2-3,18H2,1H3;4-17H,1-3H3;4-15H,1-3H3;2*1-15H;2-15H2,1H3,(H,21,22,23);2-11H2,1H3,(H,17,18,19);2-9H2,1H3,(H,17,18,19);1-3,6-7H,4-5,8-10H2;4-7H2,1-3H3,(H,14,15,16);4-8H2,1-3H3;2-6H2,1H3,(H,12,13,14);2-5H2,1H3,(H,11,12,13)/q;5*+1;;;;+1;;+1;;/p-7.
What are the key properties of (4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-henicosoxy-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxodecoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-pentadecoxyethanesulfonate;1,1-difluoro-2-oxo-2-pentoxyethanesulfonate;1,1-difluoro-2-oxo-2-[2-[2-[2-(2-propylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethoxy]ethanesulfonate;2-(3,3-dimethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium?
(4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-henicosoxy-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxodecoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-pentadecoxyethanesulfonate;1,1-difluoro-2-oxo-2-pentoxyethanesulfonate;1,1-difluoro-2-oxo-2-[2-[2-[2-(2-propylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethoxy]ethanesulfonate;2-(3,3-dimethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium has a molecular weight of 4315.79 g/mol, XLogP of 52.45, 109 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-diphenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-henicosoxy-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(5-oxodecoxy)ethanesulfonate;1,1-difluoro-2-oxo-2-pentadecoxyethanesulfonate;1,1-difluoro-2-oxo-2-pentoxyethanesulfonate;1,1-difluoro-2-oxo-2-[2-[2-[2-(2-propylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethoxy]ethanesulfonate;2-(3,3-dimethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium);tris(4-methylphenyl)sulfanium is sourced from PubChem (CID 159429424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).