(4-butoxyphenyl)-diphenylsulfanium;bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;(3,4-dimethoxyphenyl)-diphenylsulfanium;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propane-1-sulfonate;hydroxymethanesulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;3-hydroxypropane-1-sulfonate;2-nonanoyloxyethanesulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;5-phenyldibenzothiophen-5-ium;phenylsulfanium;5-phenylthianthren-5-ium;pentakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);bis(tris(4-tert-butylphenyl)sulfanium)

C267H303F39O54S26 — CID 157114343

About (4-butoxyphenyl)-diphenylsulfanium;bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;(3,4-dimethoxyphenyl)-diphenylsulfanium;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propane-1-sulfonate;hydroxymethanesulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;3-hydroxypropane-1-sulfonate;2-nonanoyloxyethanesulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;5-phenyldibenzothiophen-5-ium;phenylsulfanium;5-phenylthianthren-5-ium;pentakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);bis(tris(4-tert-butylphenyl)sulfanium)

(4-butoxyphenyl)-diphenylsulfanium;bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;(3,4-dimethoxyphenyl)-diphenylsulfanium;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propane-1-sulfonate;hydroxymethanesulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;3-hydroxypropane-1-sulfonate;2-nonanoyloxyethanesulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;5-phenyldibenzothiophen-5-ium;phenylsulfanium;5-phenylthianthren-5-ium;pentakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);bis(tris(4-tert-butylphenyl)sulfanium) (PubChem CID 157114343) has the molecular formula C267H303F39O54S26 and a molecular weight of 5950.97 g/mol. Its IUPAC name is (4-butoxyphenyl)-diphenylsulfanium;bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;(3,4-dimethoxyphenyl)-diphenylsulfanium;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propane-1-sulfonate;hydroxymethanesulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;3-hydroxypropane-1-sulfonate;2-nonanoyloxyethanesulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;5-phenyldibenzothiophen-5-ium;phenylsulfanium;5-phenylthianthren-5-ium;pentakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);bis(tris(4-tert-butylphenyl)sulfanium).

Molecular Properties

• Compound Name: (4-butoxyphenyl)-diphenylsulfanium;bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;(3,4-dimethoxyphenyl)-diphenylsulfanium;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propane-1-sulfonate;hydroxymethanesulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;3-hydroxypropane-1-sulfonate;2-nonanoyloxyethanesulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;5-phenyldibenzothiophen-5-ium;phenylsulfanium;5-phenylthianthren-5-ium;pentakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);bis(tris(4-tert-butylphenyl)sulfanium)
• PubChem CID: 157114343
• Molecular Formula: C267H303F39O54S26
• Molecular Weight: 5950.97 g/mol
• Exact Mass: 5945.31
• IUPAC Name: (4-butoxyphenyl)-diphenylsulfanium;bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;(3,4-dimethoxyphenyl)-diphenylsulfanium;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propane-1-sulfonate;hydroxymethanesulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;3-hydroxypropane-1-sulfonate;2-nonanoyloxyethanesulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;5-phenyldibenzothiophen-5-ium;phenylsulfanium;5-phenylthianthren-5-ium;pentakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);bis(tris(4-tert-butylphenyl)sulfanium)
• SMILES: 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+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)OC(=O)CS(=O)(=O)[O-].CCCCCCCCC(=O)OCCS(=O)(=O)[O-].CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COC(=O)C(F)(F)S(=O)(=O)[O-].COC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(F)(F)C(F)(F)S(=O)(=O)[O-].COc1ccc([S+](c2ccccc2)c2ccccc2)cc1OC.C[S+](C)c1ccc(O)c2ccccc12.O=S(=O)([O-])CCCO.O=S(=O)([O-])CCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])CO.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+]2c3ccccc3Sc3ccccc32)cc1
• InChI: InChI=1S/2C30H39S.C22H23OS.2C22H23S.C20H19O2S.C18H13S2.C18H13S.C12H12OS.C11H7F17O4S.C11H22O5S.C6H14O3S2.3C6H6S.C5H10O5S.5C3H4F4O4S.C3H4F2O5S.C3H8O4S.CH4O4S/c2*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;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;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;1-21-19-14-13-18(15-20(19)22-2)23(16-9-5-3-6-10-16)17-11-7-4-8-12-17;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-14(2)12-8-7-11(13)9-5-3-4-6-10(9)12;12-4(13,6(16,17)8(20,21)10(24,25)26)5(14,15)7(18,19)9(22,23)11(27,28)32-2-1-3-33(29,30)31;1-2-3-4-5-6-7-8-11(12)16-9-10-17(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;5*1-11-2(4,5)3(6,7)12(8,9)10;1-10-2(6)3(4,5)11(7,8)9;4-2-1-3-8(5,6)7;2-1-6(3,4)5/h2*10-21H,1-9H3;4-17H,2-3,18H2,1H3;2*4-17H,1-3H3;3-15H,1-2H3;1-13H;1-13H;3-8H,1-2H3;1-3H2,(H,29,30,31);2-10H2,1H3,(H,13,14,15);4-5H2,1-3H3,(H,7,8,9);3*1-5,7H;4H,3H2,1-2H3,(H,7,8,9);5*1H3,(H,8,9,10);1H3,(H,7,8,9);4H,1-3H2,(H,5,6,7);2H,1H2,(H,3,4,5)/q8*+1;;;;;;;;;;;;;;;;/p-8
• InChIKey: AHFIWSJEQWXMGM-UHFFFAOYSA-F
• XLogP: 62.99
• TPSA: 909.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 56
• Rotatable Bonds: 75
• Heavy Atoms: 386
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5950.97
LogP ≤ 5	62.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-diphenylsulfanium;bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;(3,4-dimethoxyphenyl)-diphenylsulfanium;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propane-1-sulfonate;hydroxymethanesulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;3-hydroxypropane-1-sulfonate;2-nonanoyloxyethanesulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;5-phenyldibenzothiophen-5-ium;phenylsulfanium;5-phenylthianthren-5-ium;pentakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);bis(tris(4-tert-butylphenyl)sulfanium)?

The IUPAC name of (4-butoxyphenyl)-diphenylsulfanium;bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;(3,4-dimethoxyphenyl)-diphenylsulfanium;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propane-1-sulfonate;hydroxymethanesulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;3-hydroxypropane-1-sulfonate;2-nonanoyloxyethanesulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;5-phenyldibenzothiophen-5-ium;phenylsulfanium;5-phenylthianthren-5-ium;pentakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);bis(tris(4-tert-butylphenyl)sulfanium) (CID 157114343) is (4-butoxyphenyl)-diphenylsulfanium;bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;(3,4-dimethoxyphenyl)-diphenylsulfanium;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propane-1-sulfonate;hydroxymethanesulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;3-hydroxypropane-1-sulfonate;2-nonanoyloxyethanesulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;5-phenyldibenzothiophen-5-ium;phenylsulfanium;5-phenylthianthren-5-ium;pentakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);bis(tris(4-tert-butylphenyl)sulfanium).

What is the SMILES notation for (4-butoxyphenyl)-diphenylsulfanium;bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;(3,4-dimethoxyphenyl)-diphenylsulfanium;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propane-1-sulfonate;hydroxymethanesulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;3-hydroxypropane-1-sulfonate;2-nonanoyloxyethanesulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;5-phenyldibenzothiophen-5-ium;phenylsulfanium;5-phenylthianthren-5-ium;pentakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);bis(tris(4-tert-butylphenyl)sulfanium)?

The canonical SMILES for (4-butoxyphenyl)-diphenylsulfanium;bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;(3,4-dimethoxyphenyl)-diphenylsulfanium;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propane-1-sulfonate;hydroxymethanesulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;3-hydroxypropane-1-sulfonate;2-nonanoyloxyethanesulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;5-phenyldibenzothiophen-5-ium;phenylsulfanium;5-phenylthianthren-5-ium;pentakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);bis(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+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)OC(=O)CS(=O)(=O)[O-].CCCCCCCCC(=O)OCCS(=O)(=O)[O-].CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COC(=O)C(F)(F)S(=O)(=O)[O-].COC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(F)(F)C(F)(F)S(=O)(=O)[O-].COc1ccc([S+](c2ccccc2)c2ccccc2)cc1OC.C[S+](C)c1ccc(O)c2ccccc12.O=S(=O)([O-])CCCO.O=S(=O)([O-])CCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])CO.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+]2c3ccccc3Sc3ccccc32)cc1.

What is the InChIKey of (4-butoxyphenyl)-diphenylsulfanium;bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;(3,4-dimethoxyphenyl)-diphenylsulfanium;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propane-1-sulfonate;hydroxymethanesulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;3-hydroxypropane-1-sulfonate;2-nonanoyloxyethanesulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;5-phenyldibenzothiophen-5-ium;phenylsulfanium;5-phenylthianthren-5-ium;pentakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);bis(tris(4-tert-butylphenyl)sulfanium)?

The InChIKey is AHFIWSJEQWXMGM-UHFFFAOYSA-F. The full InChI is InChI=1S/2C30H39S.C22H23OS.2C22H23S.C20H19O2S.C18H13S2.C18H13S.C12H12OS.C11H7F17O4S.C11H22O5S.C6H14O3S2.3C6H6S.C5H10O5S.5C3H4F4O4S.C3H4F2O5S.C3H8O4S.CH4O4S/c2*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;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;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;1-21-19-14-13-18(15-20(19)22-2)23(16-9-5-3-6-10-16)17-11-7-4-8-12-17;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-14(2)12-8-7-11(13)9-5-3-4-6-10(9)12;12-4(13,6(16,17)8(20,21)10(24,25)26)5(14,15)7(18,19)9(22,23)11(27,28)32-2-1-3-33(29,30)31;1-2-3-4-5-6-7-8-11(12)16-9-10-17(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;5*1-11-2(4,5)3(6,7)12(8,9)10;1-10-2(6)3(4,5)11(7,8)9;4-2-1-3-8(5,6)7;2-1-6(3,4)5/h2*10-21H,1-9H3;4-17H,2-3,18H2,1H3;2*4-17H,1-3H3;3-15H,1-2H3;1-13H;1-13H;3-8H,1-2H3;1-3H2,(H,29,30,31);2-10H2,1H3,(H,13,14,15);4-5H2,1-3H3,(H,7,8,9);3*1-5,7H;4H,3H2,1-2H3,(H,7,8,9);5*1H3,(H,8,9,10);1H3,(H,7,8,9);4H,1-3H2,(H,5,6,7);2H,1H2,(H,3,4,5)/q8*+1;;;;;;;;;;;;;;;;/p-8.

What are the key properties of (4-butoxyphenyl)-diphenylsulfanium;bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;(3,4-dimethoxyphenyl)-diphenylsulfanium;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propane-1-sulfonate;hydroxymethanesulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;3-hydroxypropane-1-sulfonate;2-nonanoyloxyethanesulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;5-phenyldibenzothiophen-5-ium;phenylsulfanium;5-phenylthianthren-5-ium;pentakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);bis(tris(4-tert-butylphenyl)sulfanium)?

(4-butoxyphenyl)-diphenylsulfanium;bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;(3,4-dimethoxyphenyl)-diphenylsulfanium;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propane-1-sulfonate;hydroxymethanesulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;3-hydroxypropane-1-sulfonate;2-nonanoyloxyethanesulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;5-phenyldibenzothiophen-5-ium;phenylsulfanium;5-phenylthianthren-5-ium;pentakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);bis(tris(4-tert-butylphenyl)sulfanium) has a molecular weight of 5950.97 g/mol, XLogP of 62.99, 75 rotatable bonds, 3 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for (4-butoxyphenyl)-diphenylsulfanium;bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;(3,4-dimethoxyphenyl)-diphenylsulfanium;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propane-1-sulfonate;hydroxymethanesulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;3-hydroxypropane-1-sulfonate;2-nonanoyloxyethanesulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;5-phenyldibenzothiophen-5-ium;phenylsulfanium;5-phenylthianthren-5-ium;pentakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);bis(tris(4-tert-butylphenyl)sulfanium) is sourced from PubChem (CID 157114343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).