2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide

C88H44F26O7S10+6 — CID 167536420

About 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide

2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide (PubChem CID 167536420) has the molecular formula C88H44F26O7S10+6 and a molecular weight of 2027.93 g/mol. Its IUPAC name is 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide.

Molecular Properties

• Compound Name: 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide
• PubChem CID: 167536420
• Molecular Formula: C88H44F26O7S10+6
• Molecular Weight: 2027.93 g/mol
• Exact Mass: 2025.98
• IUPAC Name: 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide
• SMILES: Fc1ccc2c(c1)Oc1cc(F)ccc1[S+]2C(F)(F)F.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2C(F)(F)F.O=S1(=O)c2cc(F)ccc2[S+](C(F)(F)F)c2ccc(F)cc21.O=S1(=O)c2ccc(F)cc2[S+](c2ccc(F)cc2)c2cc(F)ccc21.O=S1c2cc(F)ccc2[S+](C(F)(F)F)c2ccc(F)cc21.O=S1c2ccc(F)cc2[S+](c2ccc(F)cc2)c2cc(F)ccc21
• InChI: InChI=1S/C18H10F3O2S2.C18H10F3OS2.C13H6F5O2S2.C13H6F5OS2.C13H6F5OS.C13H6F5S/c19-11-1-5-14(6-2-11)24-15-9-12(20)3-7-17(15)25(22,23)18-8-4-13(21)10-16(18)24;19-11-1-5-14(6-2-11)23-17-9-12(20)3-7-15(17)24(22)16-8-4-13(21)10-18(16)23;14-7-1-3-9-11(5-7)22(19,20)12-6-8(15)2-4-10(12)21(9)13(16,17)18;14-7-1-3-9-11(5-7)21(19)12-6-8(15)2-4-10(12)20(9)13(16,17)18;14-7-1-3-11-9(5-7)19-10-6-8(15)2-4-12(10)20(11)13(16,17)18;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)19(11)13(16,17)18/h1-10H;1-10H;1-6H;1-6H;1-6H;1-6H/q6*+1
• InChIKey: APTDEQQJWRMVCO-UHFFFAOYSA-N
• XLogP: 26.82
• TPSA: 111.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2027.93
LogP ≤ 5	26.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide?

The IUPAC name of 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide (CID 167536420) is 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide.

What is the SMILES notation for 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide?

The canonical SMILES for 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide is Fc1ccc2c(c1)Oc1cc(F)ccc1[S+]2C(F)(F)F.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2C(F)(F)F.O=S1(=O)c2cc(F)ccc2[S+](C(F)(F)F)c2ccc(F)cc21.O=S1(=O)c2ccc(F)cc2[S+](c2ccc(F)cc2)c2cc(F)ccc21.O=S1c2cc(F)ccc2[S+](C(F)(F)F)c2ccc(F)cc21.O=S1c2ccc(F)cc2[S+](c2ccc(F)cc2)c2cc(F)ccc21.

What is the InChIKey of 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide?

The InChIKey is APTDEQQJWRMVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3O2S2.C18H10F3OS2.C13H6F5O2S2.C13H6F5OS2.C13H6F5OS.C13H6F5S/c19-11-1-5-14(6-2-11)24-15-9-12(20)3-7-17(15)25(22,23)18-8-4-13(21)10-16(18)24;19-11-1-5-14(6-2-11)23-17-9-12(20)3-7-15(17)24(22)16-8-4-13(21)10-18(16)23;14-7-1-3-9-11(5-7)22(19,20)12-6-8(15)2-4-10(12)21(9)13(16,17)18;14-7-1-3-9-11(5-7)21(19)12-6-8(15)2-4-10(12)20(9)13(16,17)18;14-7-1-3-11-9(5-7)19-10-6-8(15)2-4-12(10)20(11)13(16,17)18;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)19(11)13(16,17)18/h1-10H;1-10H;1-6H;1-6H;1-6H;1-6H/q6*+1.

What are the key properties of 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide?

2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide has a molecular weight of 2027.93 g/mol, XLogP of 26.82, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide is sourced from PubChem (CID 167536420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).