bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;3-hydroxypropane-1-sulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;phenylsulfanium;1,1,2,2-tetrafluorobutane-1-sulfonate;bis(1,1,2,2-tetrafluorooctane-1-sulfonate);3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate;tris(tris(4-tert-butylphenyl)sulfanium)

C197H251F27O29S17 — CID 161026479

IUPACbis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;3-hydroxypropane-1-sulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;phenylsulfanium;1,1,2,2-tetrafluorobutane-1-sulfonate;bis(1,1,2,2-tetrafluorooctane-1-sulfonate);3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate;tris(tris(4-tert-butylphenyl)sulfanium)
SMILESCC(C)(C)SCCS(=O)(=O)[O-].CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)OC(=O)CS(=O)(=O)[O-].CCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(=O)C(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])CCCO.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1
InChIInChI=1S/3C30H39S.2C22H23S.C8H5F13O3S.2C8H14F4O3S.C6H14O3S2.3C6H6S.C5H10O5S.C4H6F4O3S.C3H4F2O5S.C3H8O4S/c3*1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;2*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;9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;2*1-2-3-4-5-6-7(9,10)8(11,12)16(13,14)15;1-6(2,3)10-4-5-11(7,8)9;3*7-6-4-2-1-3-5-6;1-4(2)10-5(6)3-11(7,8)9;1-2-3(5,6)4(7,8)12(9,10)11;1-10-2(6)3(4,5)11(7,8)9;4-2-1-3-8(5,6)7/h3*10-21H,1-9H3;2*4-17H,1-3H3;1-2H2,(H,22,23,24);2*2-6H2,1H3,(H,13,14,15);4-5H2,1-3H3,(H,7,8,9);3*1-5,7H;4H,3H2,1-2H3,(H,7,8,9);2H2,1H3,(H,9,10,11);1H3,(H,7,8,9);4H,1-3H2,(H,5,6,7)/q5*+1;;;;;;;;;;;/p-5
InChIKeyTZAVGBJZUXJEDM-UHFFFAOYSA-I
MW4141.23 g/mol
LogP50.40
Rot. Bonds50

About bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;3-hydroxypropane-1-sulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;phenylsulfanium;1,1,2,2-tetrafluorobutane-1-sulfonate;bis(1,1,2,2-tetrafluorooctane-1-sulfonate);3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate;tris(tris(4-tert-butylphenyl)sulfanium)

bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;3-hydroxypropane-1-sulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;phenylsulfanium;1,1,2,2-tetrafluorobutane-1-sulfonate;bis(1,1,2,2-tetrafluorooctane-1-sulfonate);3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate;tris(tris(4-tert-butylphenyl)sulfanium) (PubChem CID 161026479) has the molecular formula C197H251F27O29S17 and a molecular weight of 4141.23 g/mol. Its IUPAC name is bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;3-hydroxypropane-1-sulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;phenylsulfanium;1,1,2,2-tetrafluorobutane-1-sulfonate;bis(1,1,2,2-tetrafluorooctane-1-sulfonate);3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate;tris(tris(4-tert-butylphenyl)sulfanium).

Molecular Properties

Compound Namebis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;3-hydroxypropane-1-sulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;phenylsulfanium;1,1,2,2-tetrafluorobutane-1-sulfonate;bis(1,1,2,2-tetrafluorooctane-1-sulfonate);3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate;tris(tris(4-tert-butylphenyl)sulfanium)
PubChem CID161026479
Molecular FormulaC197H251F27O29S17
Molecular Weight4141.23 g/mol
Exact Mass4137.30
IUPAC Namebis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;3-hydroxypropane-1-sulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;phenylsulfanium;1,1,2,2-tetrafluorobutane-1-sulfonate;bis(1,1,2,2-tetrafluorooctane-1-sulfonate);3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate;tris(tris(4-tert-butylphenyl)sulfanium)
SMILESCC(C)(C)SCCS(=O)(=O)[O-].CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)OC(=O)CS(=O)(=O)[O-].CCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(=O)C(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])CCCO.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1
InChIInChI=1S/3C30H39S.2C22H23S.C8H5F13O3S.2C8H14F4O3S.C6H14O3S2.3C6H6S.C5H10O5S.C4H6F4O3S.C3H4F2O5S.C3H8O4S/c3*1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;2*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;9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;2*1-2-3-4-5-6-7(9,10)8(11,12)16(13,14)15;1-6(2,3)10-4-5-11(7,8)9;3*7-6-4-2-1-3-5-6;1-4(2)10-5(6)3-11(7,8)9;1-2-3(5,6)4(7,8)12(9,10)11;1-10-2(6)3(4,5)11(7,8)9;4-2-1-3-8(5,6)7/h3*10-21H,1-9H3;2*4-17H,1-3H3;1-2H2,(H,22,23,24);2*2-6H2,1H3,(H,13,14,15);4-5H2,1-3H3,(H,7,8,9);3*1-5,7H;4H,3H2,1-2H3,(H,7,8,9);2H2,1H3,(H,9,10,11);1H3,(H,7,8,9);4H,1-3H2,(H,5,6,7)/q5*+1;;;;;;;;;;;/p-5
InChIKeyTZAVGBJZUXJEDM-UHFFFAOYSA-I
XLogP50.40
TPSA530.43 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds50
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004141.23
LogP ≤ 550.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Analyze bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;3-hydroxypropane-1-sulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;phenylsulfanium;1,1,2,2-tetrafluorobutane-1-sulfonate;bis(1,1,2,2-tetrafluorooctane-1-sulfonate);3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate;tris(tris(4-tert-butylphenyl)sulfanium) with MolForge

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Related Compounds

(4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-tert-butylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);1,1,1,4,4,4-hexafluorobutane-2-sulfonate;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate
CID 159162125
bis((4-tert-butylphenyl)-diphenylsulfanium);ethane-1,2-disulfonate
CID 87387774
(4-butylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 159291945
disodium;5-bromo-4,4,5,5-tetrafluoropentan-1-ol;methanesulfonate;1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfinate;1,1,2,2-tetrafluoro-5-hydroxypentane-1-sulfonate;triphenylsulfanium
CID 158888286
bis(bis(4-chlorophenyl)-phenylsulfanium);(4-tert-butylphenyl)-diphenylsulfanium;chloro(difluoro)methanesulfonate;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 159249515
cyclobutane;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;methyl 2-methylbutanoate;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylbutanoyloxy)pentane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate;pentakis(triphenylsulfanium)
CID 161206210
dimethyl 2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-2-undecylpropanedioate
CID 100924568
phenyl-bis[4-(trifluoromethyl)phenyl]sulfanium;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonate
CID 23132999
diphenyl-(4-propan-2-yloxyphenyl)sulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 159559917
bis(bis(4-octoxyphenyl)-phenylsulfanium);1,1,2,2-tetrafluoroethane-1,2-disulfonate
CID 175756760
butane-1-sulfonate;dodecane-1-sulfonate;ethanesulfonate;hexadecane-1-sulfonate;hexane-1-sulfonate;octane-1-sulfonate;hexakis(triphenylsulfanium)
CID 159975545
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;(4-methoxyphenyl)-diphenylsulfanium
CID 22023849

Frequently Asked Questions

What is the IUPAC name of bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;3-hydroxypropane-1-sulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;phenylsulfanium;1,1,2,2-tetrafluorobutane-1-sulfonate;bis(1,1,2,2-tetrafluorooctane-1-sulfonate);3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate;tris(tris(4-tert-butylphenyl)sulfanium)?
The IUPAC name of bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;3-hydroxypropane-1-sulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;phenylsulfanium;1,1,2,2-tetrafluorobutane-1-sulfonate;bis(1,1,2,2-tetrafluorooctane-1-sulfonate);3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate;tris(tris(4-tert-butylphenyl)sulfanium) (CID 161026479) is bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;3-hydroxypropane-1-sulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;phenylsulfanium;1,1,2,2-tetrafluorobutane-1-sulfonate;bis(1,1,2,2-tetrafluorooctane-1-sulfonate);3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate;tris(tris(4-tert-butylphenyl)sulfanium).
What is the SMILES notation for bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;3-hydroxypropane-1-sulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;phenylsulfanium;1,1,2,2-tetrafluorobutane-1-sulfonate;bis(1,1,2,2-tetrafluorooctane-1-sulfonate);3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate;tris(tris(4-tert-butylphenyl)sulfanium)?
The canonical SMILES for bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;3-hydroxypropane-1-sulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;phenylsulfanium;1,1,2,2-tetrafluorobutane-1-sulfonate;bis(1,1,2,2-tetrafluorooctane-1-sulfonate);3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate;tris(tris(4-tert-butylphenyl)sulfanium) is CC(C)(C)SCCS(=O)(=O)[O-].CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)OC(=O)CS(=O)(=O)[O-].CCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCCCCCC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(=O)C(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])CCCO.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.
What is the InChIKey of bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;3-hydroxypropane-1-sulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;phenylsulfanium;1,1,2,2-tetrafluorobutane-1-sulfonate;bis(1,1,2,2-tetrafluorooctane-1-sulfonate);3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate;tris(tris(4-tert-butylphenyl)sulfanium)?
The InChIKey is TZAVGBJZUXJEDM-UHFFFAOYSA-I. The full InChI is InChI=1S/3C30H39S.2C22H23S.C8H5F13O3S.2C8H14F4O3S.C6H14O3S2.3C6H6S.C5H10O5S.C4H6F4O3S.C3H4F2O5S.C3H8O4S/c3*1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;2*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;9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;2*1-2-3-4-5-6-7(9,10)8(11,12)16(13,14)15;1-6(2,3)10-4-5-11(7,8)9;3*7-6-4-2-1-3-5-6;1-4(2)10-5(6)3-11(7,8)9;1-2-3(5,6)4(7,8)12(9,10)11;1-10-2(6)3(4,5)11(7,8)9;4-2-1-3-8(5,6)7/h3*10-21H,1-9H3;2*4-17H,1-3H3;1-2H2,(H,22,23,24);2*2-6H2,1H3,(H,13,14,15);4-5H2,1-3H3,(H,7,8,9);3*1-5,7H;4H,3H2,1-2H3,(H,7,8,9);2H2,1H3,(H,9,10,11);1H3,(H,7,8,9);4H,1-3H2,(H,5,6,7)/q5*+1;;;;;;;;;;;/p-5.
What are the key properties of bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;3-hydroxypropane-1-sulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;phenylsulfanium;1,1,2,2-tetrafluorobutane-1-sulfonate;bis(1,1,2,2-tetrafluorooctane-1-sulfonate);3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate;tris(tris(4-tert-butylphenyl)sulfanium)?
bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;3-hydroxypropane-1-sulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;phenylsulfanium;1,1,2,2-tetrafluorobutane-1-sulfonate;bis(1,1,2,2-tetrafluorooctane-1-sulfonate);3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate;tris(tris(4-tert-butylphenyl)sulfanium) has a molecular weight of 4141.23 g/mol, XLogP of 50.40, 50 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;3-hydroxypropane-1-sulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;phenylsulfanium;1,1,2,2-tetrafluorobutane-1-sulfonate;bis(1,1,2,2-tetrafluorooctane-1-sulfonate);3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonate;tris(tris(4-tert-butylphenyl)sulfanium) is sourced from PubChem (CID 161026479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).