[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium

C157H99F31O16S10+8 — CID 165106454

IUPAC[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium
SMILESFc1ccc2c(c1)Oc1cc(F)ccc1[S+]2C(F)(F)F.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2C(F)(F)F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1c(F)c(F)c(F)c(F)c1F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1cc(F)cc(F)c1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(C(F)(F)F)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(F)cc1.O=S1(=O)c2cc(F)ccc2[S+](C(F)(F)F)c2ccc(F)cc21.O=S1c2cc(F)ccc2[S+](C(F)(F)F)c2ccc(F)cc21
InChIInChI=1S/C27H20F3O3S.C26H16F5O3S.C26H19F2O3S.C26H20FO3S.C13H6F5O2S2.C13H6F5OS2.C13H6F5OS.C13H6F5S/c28-27(29,30)20-11-13-22(14-12-20)33-26(31)19-32-21-15-17-25(18-16-21)34(23-7-3-1-4-8-23)24-9-5-2-6-10-24;27-21-22(28)24(30)26(25(31)23(21)29)34-20(32)15-33-16-11-13-19(14-12-16)35(17-7-3-1-4-8-17)18-9-5-2-6-10-18;27-19-15-20(28)17-22(16-19)31-26(29)18-30-21-11-13-25(14-12-21)32(23-7-3-1-4-8-23)24-9-5-2-6-10-24;27-20-11-13-22(14-12-20)30-26(28)19-29-21-15-17-25(18-16-21)31(23-7-3-1-4-8-23)24-9-5-2-6-10-24;14-7-1-3-9-11(5-7)22(19,20)12-6-8(15)2-4-10(12)21(9)13(16,17)18;14-7-1-3-9-11(5-7)21(19)12-6-8(15)2-4-10(12)20(9)13(16,17)18;14-7-1-3-11-9(5-7)19-10-6-8(15)2-4-12(10)20(11)13(16,17)18;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)19(11)13(16,17)18/h1-18H,19H2;1-14H,15H2;1-17H,18H2;1-18H,19H2;1-6H;1-6H;1-6H;1-6H/q8*+1
InChIKeyZFEPJCOEERXRTR-UHFFFAOYSA-N
MW3151.11 g/mol
LogP42.99
Rot. Bonds28

About [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium

[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium (PubChem CID 165106454) has the molecular formula C157H99F31O16S10+8 and a molecular weight of 3151.11 g/mol. Its IUPAC name is [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium
PubChem CID165106454
Molecular FormulaC157H99F31O16S10+8
Molecular Weight3151.11 g/mol
Exact Mass3148.36
IUPAC Name[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium
SMILESFc1ccc2c(c1)Oc1cc(F)ccc1[S+]2C(F)(F)F.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2C(F)(F)F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1c(F)c(F)c(F)c(F)c1F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1cc(F)cc(F)c1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(C(F)(F)F)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(F)cc1.O=S1(=O)c2cc(F)ccc2[S+](C(F)(F)F)c2ccc(F)cc21.O=S1c2cc(F)ccc2[S+](C(F)(F)F)c2ccc(F)cc21
InChIInChI=1S/C27H20F3O3S.C26H16F5O3S.C26H19F2O3S.C26H20FO3S.C13H6F5O2S2.C13H6F5OS2.C13H6F5OS.C13H6F5S/c28-27(29,30)20-11-13-22(14-12-20)33-26(31)19-32-21-15-17-25(18-16-21)34(23-7-3-1-4-8-23)24-9-5-2-6-10-24;27-21-22(28)24(30)26(25(31)23(21)29)34-20(32)15-33-16-11-13-19(14-12-16)35(17-7-3-1-4-8-17)18-9-5-2-6-10-18;27-19-15-20(28)17-22(16-19)31-26(29)18-30-21-11-13-25(14-12-21)32(23-7-3-1-4-8-23)24-9-5-2-6-10-24;27-20-11-13-22(14-12-20)30-26(28)19-29-21-15-17-25(18-16-21)31(23-7-3-1-4-8-23)24-9-5-2-6-10-24;14-7-1-3-9-11(5-7)22(19,20)12-6-8(15)2-4-10(12)21(9)13(16,17)18;14-7-1-3-9-11(5-7)21(19)12-6-8(15)2-4-10(12)20(9)13(16,17)18;14-7-1-3-11-9(5-7)19-10-6-8(15)2-4-12(10)20(11)13(16,17)18;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)19(11)13(16,17)18/h1-18H,19H2;1-14H,15H2;1-17H,18H2;1-18H,19H2;1-6H;1-6H;1-6H;1-6H/q8*+1
InChIKeyZFEPJCOEERXRTR-UHFFFAOYSA-N
XLogP42.99
TPSA202.56 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003151.11
LogP ≤ 542.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium with MolForge

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Related Compounds

(4-Butan-2-yl-2,3,5,6-tetrafluorophenyl) sulfate;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium)
CID 158341214
5-Phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;tris(3,3,3-trifluoro-2-(2-methylprop-2-enoyloxy)propane-1-sulfonate);triphenylsulfanium
CID 159271460
Tert-butyl 2-(4-dibenzothiophen-5-ium-5-ylphenoxy)acetate;4-ethenylphenol;bis(3-(4-ethenylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);3-(4-phenoxathiin-10-ium-10-ylphenoxy)oxolan-2-one
CID 159391375
Methanesulfonate;[4-(2-methylprop-2-enoyloxy)phenyl]-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;2,3,5,6-tetrafluoro-4-(2-methylprop-2-enoyloxy)benzenesulfonate;bis(3,3,3-trifluoro-2-(2-methylprop-2-enoyloxy)propane-1-sulfonate);bis(triphenylsulfanium)
CID 160244826
tris(1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(4-hydroxyphenyl)-diphenylsulfanium;methane;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;10-phenyl-9H-thioxanthen-10-ium
CID 160809288
(4-Tert-butylphenyl)iodanium;1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethanesulfonate;methane;5-phenyldibenzothiophen-5-ium;bis(2,3,5,6-tetrafluoro-4-(2-methylprop-2-enoyloxy)benzenesulfonate)
CID 161294047
1,1-Difluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethanesulfonate;5-phenyldibenzothiophen-5-ium;bis(3,3,4,4-tetrafluoropentyl 2-methylprop-2-enoate);2,2,2-trifluoroethyl 2-methylprop-2-enoate;bis(triphenylsulfanium);tris[4-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfanium
CID 161428009
2-[4-(10,10-Dioxothianthren-5-ium-5-yl)phenoxy]ethyl 2-methylpropanoate;[4-(10,10-dioxothianthren-5-ium-5-yl)phenyl]methyl 2-methylpropanoate;[4-(10,10-dioxothianthren-5-ium-5-yl)phenyl]methyl propanoate;10-[4-[(4-ethylphenoxy)methyl]phenyl]thianthren-10-ium 5,5-dioxide;methanesulfonate;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene;trifluoromethanesulfonate
CID 161668263
2-(4-Butan-2-ylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;5-phenyldibenzothiophen-5-ium;bis(triphenylsulfanium)
CID 161862640
Methanesulfonate;[4-(2-methylprop-2-enoyloxy)phenyl]-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;2,3,5,6-tetrafluoro-4-(2-methylprop-2-enoyloxy)benzenesulfonate;tris(3,3,3-trifluoro-2-(2-methylprop-2-enoyloxy)propane-1-sulfonate);bis(triphenylsulfanium)
CID 162078468
2,8-Difluoro-5-phenyldibenzothiophen-5-ium;3,7-difluoro-10-phenylphenoxathiin-10-ium;3,7-difluoro-10-phenylthianthren-10-ium 5-oxide;5-(4-fluorophenyl)dibenzothiophen-5-ium;10-(4-fluorophenyl)phenoxathiin-10-ium;10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-oxo-2-(3,3,3-trifluoropropoxy)ethoxy]phenyl]-diphenylsulfanium
CID 165103346
2,8-Difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide
CID 167536420

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium?
The IUPAC name of [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium (CID 165106454) is [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium.
What is the SMILES notation for [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium?
The canonical SMILES for [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium is Fc1ccc2c(c1)Oc1cc(F)ccc1[S+]2C(F)(F)F.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2C(F)(F)F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1c(F)c(F)c(F)c(F)c1F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1cc(F)cc(F)c1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(C(F)(F)F)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(F)cc1.O=S1(=O)c2cc(F)ccc2[S+](C(F)(F)F)c2ccc(F)cc21.O=S1c2cc(F)ccc2[S+](C(F)(F)F)c2ccc(F)cc21.
What is the InChIKey of [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium?
The InChIKey is ZFEPJCOEERXRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3O3S.C26H16F5O3S.C26H19F2O3S.C26H20FO3S.C13H6F5O2S2.C13H6F5OS2.C13H6F5OS.C13H6F5S/c28-27(29,30)20-11-13-22(14-12-20)33-26(31)19-32-21-15-17-25(18-16-21)34(23-7-3-1-4-8-23)24-9-5-2-6-10-24;27-21-22(28)24(30)26(25(31)23(21)29)34-20(32)15-33-16-11-13-19(14-12-16)35(17-7-3-1-4-8-17)18-9-5-2-6-10-18;27-19-15-20(28)17-22(16-19)31-26(29)18-30-21-11-13-25(14-12-21)32(23-7-3-1-4-8-23)24-9-5-2-6-10-24;27-20-11-13-22(14-12-20)30-26(28)19-29-21-15-17-25(18-16-21)31(23-7-3-1-4-8-23)24-9-5-2-6-10-24;14-7-1-3-9-11(5-7)22(19,20)12-6-8(15)2-4-10(12)21(9)13(16,17)18;14-7-1-3-9-11(5-7)21(19)12-6-8(15)2-4-10(12)20(9)13(16,17)18;14-7-1-3-11-9(5-7)19-10-6-8(15)2-4-12(10)20(11)13(16,17)18;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)19(11)13(16,17)18/h1-18H,19H2;1-14H,15H2;1-17H,18H2;1-18H,19H2;1-6H;1-6H;1-6H;1-6H/q8*+1.
What are the key properties of [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium?
[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium has a molecular weight of 3151.11 g/mol, XLogP of 42.99, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-[4-(trifluoromethyl)phenoxy]ethoxy]phenyl]-diphenylsulfanium is sourced from PubChem (CID 165106454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).