(4-tert-butylphenyl)-diphenylsulfanium;2-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxyethyl 5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-2-carboxylate;tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(4-methoxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium

C159H166F10O44S15 — CID 157194737

About (4-tert-butylphenyl)-diphenylsulfanium;2-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxyethyl 5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-2-carboxylate;tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(4-methoxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium

(4-tert-butylphenyl)-diphenylsulfanium;2-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxyethyl 5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-2-carboxylate;tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(4-methoxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium (PubChem CID 157194737) has the molecular formula C159H166F10O44S15 and a molecular weight of 3452.02 g/mol. Its IUPAC name is (4-tert-butylphenyl)-diphenylsulfanium;2-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxyethyl 5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-2-carboxylate;tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(4-methoxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium.

Molecular Properties

• Compound Name: (4-tert-butylphenyl)-diphenylsulfanium;2-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxyethyl 5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-2-carboxylate;tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(4-methoxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium
• PubChem CID: 157194737
• Molecular Formula: C159H166F10O44S15
• Molecular Weight: 3452.02 g/mol
• Exact Mass: 3448.64
• IUPAC Name: (4-tert-butylphenyl)-diphenylsulfanium;2-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxyethyl 5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-2-carboxylate;tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(4-methoxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium
• SMILES: CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)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.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OC1C2CC3C1OS(=O)(=O)C3C2)C(F)(F)SOO[O-].O=C(OC1C2CC3C1OS(=O)(=O)C3C2)C(F)(F)SOO[O-].O=C(OC1C2CC3C1OS(=O)(=O)C3C2)C(F)(F)SOO[O-].O=C(OC1C2CC3C1OS(=O)(=O)C3C2)C(F)(F)SOO[O-].O=C(OCCOC(=O)C(F)(F)SOO[O-])C1C2CC3C1OS(=O)(=O)C3C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C30H39S.C22H23OS.C22H23S.C19H17OS.C18H15S.C12H14F2O10S2.4C9H10F2O8S2/c1-28(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;1-22(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;1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-12(14,25-24-23-17)11(16)21-2-1-20-10(15)8-5-3-6-7(4-5)26(18,19)22-9(6)8;4*10-9(11,20-19-18-13)8(12)16-6-3-1-4-5(2-3)21(14,15)17-7(4)6/h10-21H,1-9H3;4-17H,1-3H3;4-17H,1-3H3;2-15H,1H3;1-15H;5-9,17H,1-4H2;4*3-7,13H,1-2H2/q5*+1;;;;;/p-5
• InChIKey: AQCOPPDXSQEXLV-UHFFFAOYSA-I
• XLogP: 27.58
• TPSA: 600.71 Ų
• H-Bond Acceptors: 49
• Rotatable Bonds: 45
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3452.02
LogP ≤ 5	27.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-diphenylsulfanium;2-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxyethyl 5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-2-carboxylate;tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(4-methoxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium?

The IUPAC name of (4-tert-butylphenyl)-diphenylsulfanium;2-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxyethyl 5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-2-carboxylate;tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(4-methoxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium (CID 157194737) is (4-tert-butylphenyl)-diphenylsulfanium;2-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxyethyl 5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-2-carboxylate;tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(4-methoxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium.

What is the SMILES notation for (4-tert-butylphenyl)-diphenylsulfanium;2-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxyethyl 5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-2-carboxylate;tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(4-methoxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium?

The canonical SMILES for (4-tert-butylphenyl)-diphenylsulfanium;2-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxyethyl 5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-2-carboxylate;tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(4-methoxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium is CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)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.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OC1C2CC3C1OS(=O)(=O)C3C2)C(F)(F)SOO[O-].O=C(OC1C2CC3C1OS(=O)(=O)C3C2)C(F)(F)SOO[O-].O=C(OC1C2CC3C1OS(=O)(=O)C3C2)C(F)(F)SOO[O-].O=C(OC1C2CC3C1OS(=O)(=O)C3C2)C(F)(F)SOO[O-].O=C(OCCOC(=O)C(F)(F)SOO[O-])C1C2CC3C1OS(=O)(=O)C3C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of (4-tert-butylphenyl)-diphenylsulfanium;2-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxyethyl 5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-2-carboxylate;tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(4-methoxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium?

The InChIKey is AQCOPPDXSQEXLV-UHFFFAOYSA-I. The full InChI is InChI=1S/C30H39S.C22H23OS.C22H23S.C19H17OS.C18H15S.C12H14F2O10S2.4C9H10F2O8S2/c1-28(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;1-22(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;1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-12(14,25-24-23-17)11(16)21-2-1-20-10(15)8-5-3-6-7(4-5)26(18,19)22-9(6)8;4*10-9(11,20-19-18-13)8(12)16-6-3-1-4-5(2-3)21(14,15)17-7(4)6/h10-21H,1-9H3;4-17H,1-3H3;4-17H,1-3H3;2-15H,1H3;1-15H;5-9,17H,1-4H2;4*3-7,13H,1-2H2/q5*+1;;;;;/p-5.

What are the key properties of (4-tert-butylphenyl)-diphenylsulfanium;2-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxyethyl 5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-2-carboxylate;tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(4-methoxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium?

(4-tert-butylphenyl)-diphenylsulfanium;2-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxyethyl 5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-2-carboxylate;tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(4-methoxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium has a molecular weight of 3452.02 g/mol, XLogP of 27.58, 45 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for (4-tert-butylphenyl)-diphenylsulfanium;2-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxyethyl 5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-2-carboxylate;tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(4-methoxyphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium is sourced from PubChem (CID 157194737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).