bis(dimethyl(3-oxobutan-2-yl)sulfanium);(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis([2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);ethane;tris(triphenylsulfanium)

C135H178F10O47S15 — CID 157253549

About bis(dimethyl(3-oxobutan-2-yl)sulfanium);(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis([2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);ethane;tris(triphenylsulfanium)

bis(dimethyl(3-oxobutan-2-yl)sulfanium);(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis([2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);ethane;tris(triphenylsulfanium) (PubChem CID 157253549) has the molecular formula C135H178F10O47S15 and a molecular weight of 3223.85 g/mol. Its IUPAC name is bis(dimethyl(3-oxobutan-2-yl)sulfanium);(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis([2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);ethane;tris(triphenylsulfanium).

Molecular Properties

• Compound Name: bis(dimethyl(3-oxobutan-2-yl)sulfanium);(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis([2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);ethane;tris(triphenylsulfanium)
• PubChem CID: 157253549
• Molecular Formula: C135H178F10O47S15
• Molecular Weight: 3223.85 g/mol
• Exact Mass: 3220.72
• IUPAC Name: bis(dimethyl(3-oxobutan-2-yl)sulfanium);(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis([2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);ethane;tris(triphenylsulfanium)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)C(C)[S+](C)C.CC(=O)C(C)[S+](C)C.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3C1OS(=O)(=O)C3C2.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3C1OS(=O)(=O)C3C2.O=C(OCC1C2CC3C(O2)C1OS3(=O)=O)C(F)(F)SOO[O-].O=C(OCC1C2CC3C1OS(=O)(=O)C3C2)C(F)(F)SOO[O-].O=C(OCC1C2CC3OS(=O)(=O)C1C3C2)C(F)(F)SOO[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/3C18H15S.2C11H12F2O10S2.2C10H12F2O8S2.C9H10F2O9S2.2C6H13OS.9C2H6/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*12-11(13,24-23-22-16)10(15)19-3-7(14)20-8-4-1-5-6(2-4)25(17,18)21-9(5)8;11-10(12,21-20-19-14)9(13)17-3-6-4-1-5-7(2-4)22(15,16)18-8(5)6;11-10(12,21-20-19-14)9(13)17-3-6-4-1-5-7(2-4)18-22(15,16)8(5)6;10-9(11,21-20-19-13)8(12)16-2-3-4-1-5-7(17-4)6(3)18-22(5,14)15;2*1-5(7)6(2)8(3)4;9*1-2/h3*1-15H;2*4-6,8-9,16H,1-3H2;2*4-8,14H,1-3H2;3-7,13H,1-2H2;2*6H,1-4H3;9*1-2H3/q3*+1;;;;;;2*+1;;;;;;;;;/p-5
• InChIKey: AWPOWWWRLJQXFB-UHFFFAOYSA-I
• XLogP: 21.72
• TPSA: 651.92 Ų
• H-Bond Acceptors: 52
• Rotatable Bonds: 45
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3223.85
LogP ≤ 5	21.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(dimethyl(3-oxobutan-2-yl)sulfanium);(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis([2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);ethane;tris(triphenylsulfanium)?

The IUPAC name of bis(dimethyl(3-oxobutan-2-yl)sulfanium);(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis([2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);ethane;tris(triphenylsulfanium) (CID 157253549) is bis(dimethyl(3-oxobutan-2-yl)sulfanium);(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis([2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);ethane;tris(triphenylsulfanium).

What is the SMILES notation for bis(dimethyl(3-oxobutan-2-yl)sulfanium);(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis([2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);ethane;tris(triphenylsulfanium)?

The canonical SMILES for bis(dimethyl(3-oxobutan-2-yl)sulfanium);(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis([2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);ethane;tris(triphenylsulfanium) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)C(C)[S+](C)C.CC(=O)C(C)[S+](C)C.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3C1OS(=O)(=O)C3C2.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3C1OS(=O)(=O)C3C2.O=C(OCC1C2CC3C(O2)C1OS3(=O)=O)C(F)(F)SOO[O-].O=C(OCC1C2CC3C1OS(=O)(=O)C3C2)C(F)(F)SOO[O-].O=C(OCC1C2CC3OS(=O)(=O)C1C3C2)C(F)(F)SOO[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of bis(dimethyl(3-oxobutan-2-yl)sulfanium);(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis([2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);ethane;tris(triphenylsulfanium)?

The InChIKey is AWPOWWWRLJQXFB-UHFFFAOYSA-I. The full InChI is InChI=1S/3C18H15S.2C11H12F2O10S2.2C10H12F2O8S2.C9H10F2O9S2.2C6H13OS.9C2H6/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*12-11(13,24-23-22-16)10(15)19-3-7(14)20-8-4-1-5-6(2-4)25(17,18)21-9(5)8;11-10(12,21-20-19-14)9(13)17-3-6-4-1-5-7(2-4)22(15,16)18-8(5)6;11-10(12,21-20-19-14)9(13)17-3-6-4-1-5-7(2-4)18-22(15,16)8(5)6;10-9(11,21-20-19-13)8(12)16-2-3-4-1-5-7(17-4)6(3)18-22(5,14)15;2*1-5(7)6(2)8(3)4;9*1-2/h3*1-15H;2*4-6,8-9,16H,1-3H2;2*4-8,14H,1-3H2;3-7,13H,1-2H2;2*6H,1-4H3;9*1-2H3/q3*+1;;;;;;2*+1;;;;;;;;;/p-5.

What are the key properties of bis(dimethyl(3-oxobutan-2-yl)sulfanium);(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis([2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);ethane;tris(triphenylsulfanium)?

bis(dimethyl(3-oxobutan-2-yl)sulfanium);(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis([2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);ethane;tris(triphenylsulfanium) has a molecular weight of 3223.85 g/mol, XLogP of 21.72, 45 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dimethyl(3-oxobutan-2-yl)sulfanium);(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;bis([2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);ethane;tris(triphenylsulfanium) is sourced from PubChem (CID 157253549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).