10-(4-ethylsulfonylphenyl)thianthren-10-ium 5,5-dioxide;10-[4-(2-methoxyethoxy)phenyl]thianthren-10-ium 5,5-dioxide;methoxyperoxysulfanylbenzene;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-methoxyperoxysulfanyl-1,3,5-trimethylbenzene;bis(10-(4-methylsulfonylphenyl)thianthren-10-ium 5,5-dioxide);1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene

C112H97F11O28S15+4 — CID 162041563

IUPAC10-(4-ethylsulfonylphenyl)thianthren-10-ium 5,5-dioxide;10-[4-(2-methoxyethoxy)phenyl]thianthren-10-ium 5,5-dioxide;methoxyperoxysulfanylbenzene;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-methoxyperoxysulfanyl-1,3,5-trimethylbenzene;bis(10-(4-methylsulfonylphenyl)thianthren-10-ium 5,5-dioxide);1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene
SMILESCCS(=O)(=O)c1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1.COCCOc1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1.COOOSc1c(C)cc(C)cc1C.COOOSc1c(F)c(F)c(F)c(F)c1F.COOOSc1cc(C(F)(F)F)cc(C(F)(F)F)c1.COOOSc1ccccc1.CS(=O)(=O)c1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1.CS(=O)(=O)c1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C21H19O4S2.C20H17O4S3.2C19H15O4S3.C10H14O3S.C9H6F6O3S.C7H3F5O3S.C7H8O3S/c1-24-14-15-25-16-10-12-17(13-11-16)26-18-6-2-4-8-20(18)27(22,23)21-9-5-3-7-19(21)26;1-2-26(21,22)16-13-11-15(12-14-16)25-17-7-3-5-9-19(17)27(23,24)20-10-6-4-8-18(20)25;2*1-25(20,21)15-12-10-14(11-13-15)24-16-6-2-4-8-18(16)26(22,23)19-9-5-3-7-17(19)24;1-7-5-8(2)10(9(3)6-7)14-13-12-11-4;1-16-17-18-19-7-3-5(8(10,11)12)2-6(4-7)9(13,14)15;1-13-14-15-16-7-5(11)3(9)2(8)4(10)6(7)12;1-8-9-10-11-7-5-3-2-4-6-7/h2-13H,14-15H2,1H3;3-14H,2H2,1H3;2*2-13H,1H3;5-6H,1-4H3;2-4H,1H3;1H3;2-6H,1H3/q4*+1;;;;
InChIKeyYXIQHYNKCVNJLZ-UHFFFAOYSA-N
MW2580.96 g/mol
LogP26.81
Rot. Bonds28

About 10-(4-ethylsulfonylphenyl)thianthren-10-ium 5,5-dioxide;10-[4-(2-methoxyethoxy)phenyl]thianthren-10-ium 5,5-dioxide;methoxyperoxysulfanylbenzene;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-methoxyperoxysulfanyl-1,3,5-trimethylbenzene;bis(10-(4-methylsulfonylphenyl)thianthren-10-ium 5,5-dioxide);1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene

10-(4-ethylsulfonylphenyl)thianthren-10-ium 5,5-dioxide;10-[4-(2-methoxyethoxy)phenyl]thianthren-10-ium 5,5-dioxide;methoxyperoxysulfanylbenzene;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-methoxyperoxysulfanyl-1,3,5-trimethylbenzene;bis(10-(4-methylsulfonylphenyl)thianthren-10-ium 5,5-dioxide);1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene (PubChem CID 162041563) has the molecular formula C112H97F11O28S15+4 and a molecular weight of 2580.96 g/mol. Its IUPAC name is 10-(4-ethylsulfonylphenyl)thianthren-10-ium 5,5-dioxide;10-[4-(2-methoxyethoxy)phenyl]thianthren-10-ium 5,5-dioxide;methoxyperoxysulfanylbenzene;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-methoxyperoxysulfanyl-1,3,5-trimethylbenzene;bis(10-(4-methylsulfonylphenyl)thianthren-10-ium 5,5-dioxide);1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene.

Molecular Properties

Compound Name10-(4-ethylsulfonylphenyl)thianthren-10-ium 5,5-dioxide;10-[4-(2-methoxyethoxy)phenyl]thianthren-10-ium 5,5-dioxide;methoxyperoxysulfanylbenzene;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-methoxyperoxysulfanyl-1,3,5-trimethylbenzene;bis(10-(4-methylsulfonylphenyl)thianthren-10-ium 5,5-dioxide);1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene
PubChem CID162041563
Molecular FormulaC112H97F11O28S15+4
Molecular Weight2580.96 g/mol
Exact Mass2578.18
IUPAC Name10-(4-ethylsulfonylphenyl)thianthren-10-ium 5,5-dioxide;10-[4-(2-methoxyethoxy)phenyl]thianthren-10-ium 5,5-dioxide;methoxyperoxysulfanylbenzene;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-methoxyperoxysulfanyl-1,3,5-trimethylbenzene;bis(10-(4-methylsulfonylphenyl)thianthren-10-ium 5,5-dioxide);1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene
SMILESCCS(=O)(=O)c1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1.COCCOc1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1.COOOSc1c(C)cc(C)cc1C.COOOSc1c(F)c(F)c(F)c(F)c1F.COOOSc1cc(C(F)(F)F)cc(C(F)(F)F)c1.COOOSc1ccccc1.CS(=O)(=O)c1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1.CS(=O)(=O)c1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C21H19O4S2.C20H17O4S3.2C19H15O4S3.C10H14O3S.C9H6F6O3S.C7H3F5O3S.C7H8O3S/c1-24-14-15-25-16-10-12-17(13-11-16)26-18-6-2-4-8-20(18)27(22,23)21-9-5-3-7-19(21)26;1-2-26(21,22)16-13-11-15(12-14-16)25-17-7-3-5-9-19(17)27(23,24)20-10-6-4-8-18(20)25;2*1-25(20,21)15-12-10-14(11-13-15)24-16-6-2-4-8-18(16)26(22,23)19-9-5-3-7-17(19)24;1-7-5-8(2)10(9(3)6-7)14-13-12-11-4;1-16-17-18-19-7-3-5(8(10,11)12)2-6(4-7)9(13,14)15;1-13-14-15-16-7-5(11)3(9)2(8)4(10)6(7)12;1-8-9-10-11-7-5-3-2-4-6-7/h2-13H,14-15H2,1H3;3-14H,2H2,1H3;2*2-13H,1H3;5-6H,1-4H3;2-4H,1H3;1H3;2-6H,1H3/q4*+1;;;;
InChIKeyYXIQHYNKCVNJLZ-UHFFFAOYSA-N
XLogP26.81
TPSA368.20 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002580.96
LogP ≤ 526.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 10-(4-ethylsulfonylphenyl)thianthren-10-ium 5,5-dioxide;10-[4-(2-methoxyethoxy)phenyl]thianthren-10-ium 5,5-dioxide;methoxyperoxysulfanylbenzene;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-methoxyperoxysulfanyl-1,3,5-trimethylbenzene;bis(10-(4-methylsulfonylphenyl)thianthren-10-ium 5,5-dioxide);1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene 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

[2-[4-[3,5-Dimethyl-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonylphenoxy]phenyl]sulfonyl-2,6-dimethylphenoxy]-5-(3-methoxysulfonyl-4-methylphenyl)sulfonylphenyl]methanesulfonic acid
CID 88292881
Bis(4-tert-butylphenyl)-phenylsulfanium;bis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;1-oxidoperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;(4-oxidoperoxysulfanylphenyl) trifluoromethanesulfonate;1-oxidoperoxysulfanyl-4-(trifluoromethyl)benzene;1,2,3,4,5-pentafluoro-6-oxidoperoxysulfanylbenzene;5-phenylthianthren-5-ium
CID 157695365
Bis((4-butoxyphenyl)-diphenylsulfanium);diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis((4-methylphenyl)-diphenylsulfanium);1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate;bis(1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethanesulfonate);1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethanesulfonate;tris(4-tert-butylphenyl)sulfanium
CID 157856529
Bis(4-methylphenyl)-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;4-fluoro-2-methoxyperoxysulfanyl-1-methylbenzene;(4-hydroxyphenyl)-diphenylsulfanium;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;1-methoxyperoxysulfanyl-2-(trifluoromethyl)benzene;1-methoxyperoxysulfanyl-4-(trifluoromethyl)benzene;triphenylsulfanium
CID 157863833
bis(3,5-difluoro-4-methylsulfonylphenyl)-phenylsulfanium;[3-(difluoromethyl)-5-methylphenyl]-bis(3-methylsulfonylphenyl)sulfanium;(4-methylsulfonylphenyl)-diphenylsulfanium;10-(4-methylsulfonylphenyl)phenoxathiin-10-ium;10-(4-methylsulfonylphenyl)-9H-thioxanthen-10-ium;pentakis(trifluoromethanesulfonate)
CID 158405236
5-(4-Methoxyphenyl)thianthren-5-ium;(3-methylphenyl)-diphenylsulfanium;pentakis(trifluoro(trifluoromethylsulfonylmethylsulfonyl)methane);tris(4-methoxyphenyl)sulfanium;tris(4-methylphenyl)sulfanium;tris(4-methylsulfanylphenyl)sulfanium
CID 158767459
2-[4-Bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(2-methoxyethoxy)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methoxyethoxy)phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate
CID 159409087
[4-[2-[4-[3,5-Bis[4-[2-(4-dimethylsulfoniophenoxy)ethoxy]phenyl]phenyl]phenoxy]ethoxy]phenyl]-dimethylsulfanium;4-[2-[4-[3-[4-[2-(4-oxidoperoxysulfanylphenoxy)ethoxy]phenyl]-5-[4-[2-(4-sulfonatophenoxy)ethoxy]phenyl]phenyl]phenoxy]ethoxy]benzenesulfonate;tris(trifluoromethanesulfonate);triphenylsulfanium
CID 159511055
Bis(diphenyl-(2,4,6-trimethylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);(4-octoxyphenyl)-diphenylsulfanium
CID 159826093
Diphenyl-(2,4,6-trimethylphenyl)sulfanium;4-fluorobenzenesulfonate;5-fluoro-2-methylbenzenesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;2-methyl-4-(trifluoromethyl)benzenesulfonate;2,3,4,5,6-pentafluorobenzenesulfonate;2-(trifluoromethyl)benzenesulfonate;3-(trifluoromethyl)benzenesulfonate;tris(triphenylsulfanium)
CID 160296101
(4-Butoxyphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis(1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethanesulfonate)
CID 160355353
2-[4-Bis(3,5-dimethylphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclopentyloxyphenyl)-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[(4-pentoxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate
CID 160381915

Frequently Asked Questions

What is the IUPAC name of 10-(4-ethylsulfonylphenyl)thianthren-10-ium 5,5-dioxide;10-[4-(2-methoxyethoxy)phenyl]thianthren-10-ium 5,5-dioxide;methoxyperoxysulfanylbenzene;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-methoxyperoxysulfanyl-1,3,5-trimethylbenzene;bis(10-(4-methylsulfonylphenyl)thianthren-10-ium 5,5-dioxide);1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene?
The IUPAC name of 10-(4-ethylsulfonylphenyl)thianthren-10-ium 5,5-dioxide;10-[4-(2-methoxyethoxy)phenyl]thianthren-10-ium 5,5-dioxide;methoxyperoxysulfanylbenzene;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-methoxyperoxysulfanyl-1,3,5-trimethylbenzene;bis(10-(4-methylsulfonylphenyl)thianthren-10-ium 5,5-dioxide);1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene (CID 162041563) is 10-(4-ethylsulfonylphenyl)thianthren-10-ium 5,5-dioxide;10-[4-(2-methoxyethoxy)phenyl]thianthren-10-ium 5,5-dioxide;methoxyperoxysulfanylbenzene;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-methoxyperoxysulfanyl-1,3,5-trimethylbenzene;bis(10-(4-methylsulfonylphenyl)thianthren-10-ium 5,5-dioxide);1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene.
What is the SMILES notation for 10-(4-ethylsulfonylphenyl)thianthren-10-ium 5,5-dioxide;10-[4-(2-methoxyethoxy)phenyl]thianthren-10-ium 5,5-dioxide;methoxyperoxysulfanylbenzene;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-methoxyperoxysulfanyl-1,3,5-trimethylbenzene;bis(10-(4-methylsulfonylphenyl)thianthren-10-ium 5,5-dioxide);1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene?
The canonical SMILES for 10-(4-ethylsulfonylphenyl)thianthren-10-ium 5,5-dioxide;10-[4-(2-methoxyethoxy)phenyl]thianthren-10-ium 5,5-dioxide;methoxyperoxysulfanylbenzene;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-methoxyperoxysulfanyl-1,3,5-trimethylbenzene;bis(10-(4-methylsulfonylphenyl)thianthren-10-ium 5,5-dioxide);1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene is CCS(=O)(=O)c1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1.COCCOc1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1.COOOSc1c(C)cc(C)cc1C.COOOSc1c(F)c(F)c(F)c(F)c1F.COOOSc1cc(C(F)(F)F)cc(C(F)(F)F)c1.COOOSc1ccccc1.CS(=O)(=O)c1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1.CS(=O)(=O)c1ccc([S+]2c3ccccc3S(=O)(=O)c3ccccc32)cc1.
What is the InChIKey of 10-(4-ethylsulfonylphenyl)thianthren-10-ium 5,5-dioxide;10-[4-(2-methoxyethoxy)phenyl]thianthren-10-ium 5,5-dioxide;methoxyperoxysulfanylbenzene;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-methoxyperoxysulfanyl-1,3,5-trimethylbenzene;bis(10-(4-methylsulfonylphenyl)thianthren-10-ium 5,5-dioxide);1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene?
The InChIKey is YXIQHYNKCVNJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19O4S2.C20H17O4S3.2C19H15O4S3.C10H14O3S.C9H6F6O3S.C7H3F5O3S.C7H8O3S/c1-24-14-15-25-16-10-12-17(13-11-16)26-18-6-2-4-8-20(18)27(22,23)21-9-5-3-7-19(21)26;1-2-26(21,22)16-13-11-15(12-14-16)25-17-7-3-5-9-19(17)27(23,24)20-10-6-4-8-18(20)25;2*1-25(20,21)15-12-10-14(11-13-15)24-16-6-2-4-8-18(16)26(22,23)19-9-5-3-7-17(19)24;1-7-5-8(2)10(9(3)6-7)14-13-12-11-4;1-16-17-18-19-7-3-5(8(10,11)12)2-6(4-7)9(13,14)15;1-13-14-15-16-7-5(11)3(9)2(8)4(10)6(7)12;1-8-9-10-11-7-5-3-2-4-6-7/h2-13H,14-15H2,1H3;3-14H,2H2,1H3;2*2-13H,1H3;5-6H,1-4H3;2-4H,1H3;1H3;2-6H,1H3/q4*+1;;;;.
What are the key properties of 10-(4-ethylsulfonylphenyl)thianthren-10-ium 5,5-dioxide;10-[4-(2-methoxyethoxy)phenyl]thianthren-10-ium 5,5-dioxide;methoxyperoxysulfanylbenzene;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-methoxyperoxysulfanyl-1,3,5-trimethylbenzene;bis(10-(4-methylsulfonylphenyl)thianthren-10-ium 5,5-dioxide);1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene?
10-(4-ethylsulfonylphenyl)thianthren-10-ium 5,5-dioxide;10-[4-(2-methoxyethoxy)phenyl]thianthren-10-ium 5,5-dioxide;methoxyperoxysulfanylbenzene;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-methoxyperoxysulfanyl-1,3,5-trimethylbenzene;bis(10-(4-methylsulfonylphenyl)thianthren-10-ium 5,5-dioxide);1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene has a molecular weight of 2580.96 g/mol, XLogP of 26.81, 28 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-ethylsulfonylphenyl)thianthren-10-ium 5,5-dioxide;10-[4-(2-methoxyethoxy)phenyl]thianthren-10-ium 5,5-dioxide;methoxyperoxysulfanylbenzene;1-methoxyperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-methoxyperoxysulfanyl-1,3,5-trimethylbenzene;bis(10-(4-methylsulfonylphenyl)thianthren-10-ium 5,5-dioxide);1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene is sourced from PubChem (CID 162041563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).