(4-tert-butylphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis((1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-1-carboxylate);(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-2-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tris(triphenylsulfanium)

C203H206F30O31S12 — CID 162049580

About (4-tert-butylphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis((1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-1-carboxylate);(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-2-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tris(triphenylsulfanium)

(4-tert-butylphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis((1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-1-carboxylate);(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-2-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tris(triphenylsulfanium) (PubChem CID 162049580) has the molecular formula C203H206F30O31S12 and a molecular weight of 4096.59 g/mol. Its IUPAC name is (4-tert-butylphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis((1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-1-carboxylate);(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-2-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tris(triphenylsulfanium).

Molecular Properties

• Compound Name: (4-tert-butylphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis((1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-1-carboxylate);(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-2-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tris(triphenylsulfanium)
• PubChem CID: 162049580
• Molecular Formula: C203H206F30O31S12
• Molecular Weight: 4096.59 g/mol
• Exact Mass: 4093.07
• IUPAC Name: (4-tert-butylphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis((1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-1-carboxylate);(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-2-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tris(triphenylsulfanium)
• SMILES: CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C1C2CC3CC(C2)CC1C3.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C1CC2CC1C1C3CCC(C3)C21.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C22H23OS.C22H23S.C19H17S.3C18H15S.C16H19F5O5S.5C14H17F5O5S/c1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;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;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-15(18,19)14(16(20,21)27-26-25-23)24-13(22)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12;4*15-13(16,17)10(14(18,19)25-24-23-21)22-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;15-13(16,17)12(14(18,19)25-24-23-21)22-11(20)10-8-2-6-1-7(4-8)5-9(10)3-6/h4-17H,1-3H3;4-17H,1-3H3;2-15H,1H3;3*1-15H;6-12,14,23H,1-5H2;4*7-10,21H,1-6H2;6-10,12,21H,1-5H2/q6*+1;;;;;;/p-6
• InChIKey: YYJGWTYBLMLKNR-UHFFFAOYSA-H
• XLogP: 50.28
• TPSA: 416.15 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 55
• Heavy Atoms: 276
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4096.59
LogP ≤ 5	50.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis((1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-1-carboxylate);(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-2-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tris(triphenylsulfanium)?

The IUPAC name of (4-tert-butylphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis((1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-1-carboxylate);(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-2-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tris(triphenylsulfanium) (CID 162049580) is (4-tert-butylphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis((1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-1-carboxylate);(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-2-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tris(triphenylsulfanium).

What is the SMILES notation for (4-tert-butylphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis((1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-1-carboxylate);(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-2-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tris(triphenylsulfanium)?

The canonical SMILES for (4-tert-butylphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis((1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-1-carboxylate);(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-2-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tris(triphenylsulfanium) is CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C1C2CC3CC(C2)CC1C3.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C1CC2CC1C1C3CCC(C3)C21.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of (4-tert-butylphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis((1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-1-carboxylate);(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-2-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tris(triphenylsulfanium)?

The InChIKey is YYJGWTYBLMLKNR-UHFFFAOYSA-H. The full InChI is InChI=1S/C22H23OS.C22H23S.C19H17S.3C18H15S.C16H19F5O5S.5C14H17F5O5S/c1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;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;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;17-15(18,19)14(16(20,21)27-26-25-23)24-13(22)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12;4*15-13(16,17)10(14(18,19)25-24-23-21)22-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;15-13(16,17)12(14(18,19)25-24-23-21)22-11(20)10-8-2-6-1-7(4-8)5-9(10)3-6/h4-17H,1-3H3;4-17H,1-3H3;2-15H,1H3;3*1-15H;6-12,14,23H,1-5H2;4*7-10,21H,1-6H2;6-10,12,21H,1-5H2/q6*+1;;;;;;/p-6.

What are the key properties of (4-tert-butylphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis((1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-1-carboxylate);(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-2-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tris(triphenylsulfanium)?

(4-tert-butylphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis((1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-1-carboxylate);(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-2-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tris(triphenylsulfanium) has a molecular weight of 4096.59 g/mol, XLogP of 50.28, 55 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (4-tert-butylphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tetrakis((1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-1-carboxylate);(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) adamantane-2-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;tris(triphenylsulfanium) is sourced from PubChem (CID 162049580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).