(4-tert-butylphenyl)-diphenylsulfanium;bis(1,1-difluoro-2-(2-methylbutanoyloxy)ethanesulfonate);1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tetrakis(triphenylsulfanium)

C246H270F18O46S18 — CID 159326056

IUPAC(4-tert-butylphenyl)-diphenylsulfanium;bis(1,1-difluoro-2-(2-methylbutanoyloxy)ethanesulfonate);1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tetrakis(triphenylsulfanium)
SMILESCC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)cc([S+](c2ccccc2)c2ccccc2)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H17S.C22H23S.C20H19S.C19H17OS.C19H17S.4C18H15S.2C9H16F2O5S.5C8H14F2O5S.2C7H12F2O5S/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;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;1-16-13-17(2)15-20(14-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-5-8(3,4)7(12)16-6(2)9(10,11)17(13,14)15;4*1-4-7(2,3)6(11)15-5-8(9,10)16(12,13)14;1-4-5(2)7(11)15-6(3)8(9,10)16(12,13)14;2*1-3-5(2)6(10)14-4-7(8,9)15(11,12)13/h1-17H;4-17H,1-3H3;3-15H,1-2H3;2-15H,1H3;2-15H,1H3;4*1-15H;2*6H,5H2,1-4H3,(H,13,14,15);4*4-5H2,1-3H3,(H,12,13,14);5-6H,4H2,1-3H3,(H,12,13,14);2*5H,3-4H2,1-2H3,(H,11,12,13)/q9*+1;;;;;;;;;/p-9
InChIKeyLEJMLJWKZNIABO-UHFFFAOYSA-E
MW4881.99 g/mol
LogP56.35
Rot. Bonds73

About (4-tert-butylphenyl)-diphenylsulfanium;bis(1,1-difluoro-2-(2-methylbutanoyloxy)ethanesulfonate);1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tetrakis(triphenylsulfanium)

(4-tert-butylphenyl)-diphenylsulfanium;bis(1,1-difluoro-2-(2-methylbutanoyloxy)ethanesulfonate);1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tetrakis(triphenylsulfanium) (PubChem CID 159326056) has the molecular formula C246H270F18O46S18 and a molecular weight of 4881.99 g/mol. Its IUPAC name is (4-tert-butylphenyl)-diphenylsulfanium;bis(1,1-difluoro-2-(2-methylbutanoyloxy)ethanesulfonate);1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tetrakis(triphenylsulfanium).

Molecular Properties

Compound Name(4-tert-butylphenyl)-diphenylsulfanium;bis(1,1-difluoro-2-(2-methylbutanoyloxy)ethanesulfonate);1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tetrakis(triphenylsulfanium)
PubChem CID159326056
Molecular FormulaC246H270F18O46S18
Molecular Weight4881.99 g/mol
Exact Mass4877.35
IUPAC Name(4-tert-butylphenyl)-diphenylsulfanium;bis(1,1-difluoro-2-(2-methylbutanoyloxy)ethanesulfonate);1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tetrakis(triphenylsulfanium)
SMILESCC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)cc([S+](c2ccccc2)c2ccccc2)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H17S.C22H23S.C20H19S.C19H17OS.C19H17S.4C18H15S.2C9H16F2O5S.5C8H14F2O5S.2C7H12F2O5S/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;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;1-16-13-17(2)15-20(14-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-5-8(3,4)7(12)16-6(2)9(10,11)17(13,14)15;4*1-4-7(2,3)6(11)15-5-8(9,10)16(12,13)14;1-4-5(2)7(11)15-6(3)8(9,10)16(12,13)14;2*1-3-5(2)6(10)14-4-7(8,9)15(11,12)13/h1-17H;4-17H,1-3H3;3-15H,1-2H3;2-15H,1H3;2-15H,1H3;4*1-15H;2*6H,5H2,1-4H3,(H,13,14,15);4*4-5H2,1-3H3,(H,12,13,14);5-6H,4H2,1-3H3,(H,12,13,14);2*5H,3-4H2,1-2H3,(H,11,12,13)/q9*+1;;;;;;;;;/p-9
InChIKeyLEJMLJWKZNIABO-UHFFFAOYSA-E
XLogP56.35
TPSA760.73 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds73
Heavy Atoms328
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004881.99
LogP ≤ 556.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Analyze (4-tert-butylphenyl)-diphenylsulfanium;bis(1,1-difluoro-2-(2-methylbutanoyloxy)ethanesulfonate);1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tetrakis(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-diphenylsulfanium;bis(1,1-difluoro-2-(2-methylbutanoyloxy)ethanesulfonate);1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tetrakis(triphenylsulfanium)?
The IUPAC name of (4-tert-butylphenyl)-diphenylsulfanium;bis(1,1-difluoro-2-(2-methylbutanoyloxy)ethanesulfonate);1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tetrakis(triphenylsulfanium) (CID 159326056) is (4-tert-butylphenyl)-diphenylsulfanium;bis(1,1-difluoro-2-(2-methylbutanoyloxy)ethanesulfonate);1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tetrakis(triphenylsulfanium).
What is the SMILES notation for (4-tert-butylphenyl)-diphenylsulfanium;bis(1,1-difluoro-2-(2-methylbutanoyloxy)ethanesulfonate);1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tetrakis(triphenylsulfanium)?
The canonical SMILES for (4-tert-butylphenyl)-diphenylsulfanium;bis(1,1-difluoro-2-(2-methylbutanoyloxy)ethanesulfonate);1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tetrakis(triphenylsulfanium) is CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)cc([S+](c2ccccc2)c2ccccc2)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-diphenylsulfanium;bis(1,1-difluoro-2-(2-methylbutanoyloxy)ethanesulfonate);1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tetrakis(triphenylsulfanium)?
The InChIKey is LEJMLJWKZNIABO-UHFFFAOYSA-E. The full InChI is InChI=1S/C22H17S.C22H23S.C20H19S.C19H17OS.C19H17S.4C18H15S.2C9H16F2O5S.5C8H14F2O5S.2C7H12F2O5S/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;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;1-16-13-17(2)15-20(14-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-5-8(3,4)7(12)16-6(2)9(10,11)17(13,14)15;4*1-4-7(2,3)6(11)15-5-8(9,10)16(12,13)14;1-4-5(2)7(11)15-6(3)8(9,10)16(12,13)14;2*1-3-5(2)6(10)14-4-7(8,9)15(11,12)13/h1-17H;4-17H,1-3H3;3-15H,1-2H3;2-15H,1H3;2-15H,1H3;4*1-15H;2*6H,5H2,1-4H3,(H,13,14,15);4*4-5H2,1-3H3,(H,12,13,14);5-6H,4H2,1-3H3,(H,12,13,14);2*5H,3-4H2,1-2H3,(H,11,12,13)/q9*+1;;;;;;;;;/p-9.
What are the key properties of (4-tert-butylphenyl)-diphenylsulfanium;bis(1,1-difluoro-2-(2-methylbutanoyloxy)ethanesulfonate);1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tetrakis(triphenylsulfanium)?
(4-tert-butylphenyl)-diphenylsulfanium;bis(1,1-difluoro-2-(2-methylbutanoyloxy)ethanesulfonate);1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tetrakis(triphenylsulfanium) has a molecular weight of 4881.99 g/mol, XLogP of 56.35, 73 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-diphenylsulfanium;bis(1,1-difluoro-2-(2-methylbutanoyloxy)ethanesulfonate);1,1-difluoro-2-(2-methylbutanoyloxy)propane-1-sulfonate;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(3,5-dimethylphenyl)-diphenylsulfanium;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium;tetrakis(triphenylsulfanium) is sourced from PubChem (CID 159326056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).