bis(4-fluorophenyl)-(4-iodophenyl)sulfanium;4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;1-(4-tert-butylphenyl)thian-1-ium;10-(4-fluorophenyl)-4a,10a-dihydrophenoxathiin-10-ium;5-(4-fluorophenyl)-4a,9b-dihydrodibenzothiophen-5-ium;(4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-iodophenyl)-bis(3,4,5-trifluorophenyl)sulfanium;5-phenyl-4a,9b-dihydrodibenzothiophen-5-ium

C139H119F16I3O2S8+8 — CID 167582274

About bis(4-fluorophenyl)-(4-iodophenyl)sulfanium;4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;1-(4-tert-butylphenyl)thian-1-ium;10-(4-fluorophenyl)-4a,10a-dihydrophenoxathiin-10-ium;5-(4-fluorophenyl)-4a,9b-dihydrodibenzothiophen-5-ium;(4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-iodophenyl)-bis(3,4,5-trifluorophenyl)sulfanium;5-phenyl-4a,9b-dihydrodibenzothiophen-5-ium

bis(4-fluorophenyl)-(4-iodophenyl)sulfanium;4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;1-(4-tert-butylphenyl)thian-1-ium;10-(4-fluorophenyl)-4a,10a-dihydrophenoxathiin-10-ium;5-(4-fluorophenyl)-4a,9b-dihydrodibenzothiophen-5-ium;(4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-iodophenyl)-bis(3,4,5-trifluorophenyl)sulfanium;5-phenyl-4a,9b-dihydrodibenzothiophen-5-ium (PubChem CID 167582274) has the molecular formula C139H119F16I3O2S8+8 and a molecular weight of 2762.69 g/mol. Its IUPAC name is bis(4-fluorophenyl)-(4-iodophenyl)sulfanium;4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;1-(4-tert-butylphenyl)thian-1-ium;10-(4-fluorophenyl)-4a,10a-dihydrophenoxathiin-10-ium;5-(4-fluorophenyl)-4a,9b-dihydrodibenzothiophen-5-ium;(4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-iodophenyl)-bis(3,4,5-trifluorophenyl)sulfanium;5-phenyl-4a,9b-dihydrodibenzothiophen-5-ium.

Molecular Properties

• Compound Name: bis(4-fluorophenyl)-(4-iodophenyl)sulfanium;4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;1-(4-tert-butylphenyl)thian-1-ium;10-(4-fluorophenyl)-4a,10a-dihydrophenoxathiin-10-ium;5-(4-fluorophenyl)-4a,9b-dihydrodibenzothiophen-5-ium;(4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-iodophenyl)-bis(3,4,5-trifluorophenyl)sulfanium;5-phenyl-4a,9b-dihydrodibenzothiophen-5-ium
• PubChem CID: 167582274
• Molecular Formula: C139H119F16I3O2S8+8
• Molecular Weight: 2762.69 g/mol
• Exact Mass: 2760.38
• IUPAC Name: bis(4-fluorophenyl)-(4-iodophenyl)sulfanium;4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;1-(4-tert-butylphenyl)thian-1-ium;10-(4-fluorophenyl)-4a,10a-dihydrophenoxathiin-10-ium;5-(4-fluorophenyl)-4a,9b-dihydrodibenzothiophen-5-ium;(4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-iodophenyl)-bis(3,4,5-trifluorophenyl)sulfanium;5-phenyl-4a,9b-dihydrodibenzothiophen-5-ium
• SMILES: C1=CC2c3ccccc3[S+](c3ccccc3)C2C=C1.CC(C)(C)c1ccc([S+]2CCCCC2)cc1.CC(C)(C)c1ccc([S+]2CCOCC2)cc1.FC(F)(F)c1ccc([S+](c2ccc(I)cc2)c2ccc(C(F)(F)F)cc2)cc1.Fc1cc([S+](c2ccc(I)cc2)c2cc(F)c(F)c(F)c2)cc(F)c1F.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(I)cc2)cc1.Fc1ccc([S+]2c3ccccc3C3C=CC=CC32)cc1.Fc1ccc([S+]2c3ccccc3OC3C=CC=CC32)cc1
• InChI: InChI=1S/C20H12F6IS.C18H8F6IS.C18H12F2IS.C18H14FOS.C18H14FS.C18H15S.C15H23S.C14H21OS/c21-19(22,23)13-1-7-16(8-2-13)28(18-11-5-15(27)6-12-18)17-9-3-14(4-10-17)20(24,25)26;19-13-5-11(6-14(20)17(13)23)26(10-3-1-9(25)2-4-10)12-7-15(21)18(24)16(22)8-12;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;19-13-9-11-14(12-10-13)21-17-7-3-1-5-15(17)20-16-6-2-4-8-18(16)21;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(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;1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16/h1-12H;1-8H;1-12H;1-12,15,17H;1-12,15,17H;1-13,15,17H;7-10H,4-6,11-12H2,1-3H3;4-7H,8-11H2,1-3H3/q8*+1
• InChIKey: HIHCKNFRFSRJAO-UHFFFAOYSA-N
• XLogP: 39.33
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2762.69
LogP ≤ 5	39.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-(4-iodophenyl)sulfanium;4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;1-(4-tert-butylphenyl)thian-1-ium;10-(4-fluorophenyl)-4a,10a-dihydrophenoxathiin-10-ium;5-(4-fluorophenyl)-4a,9b-dihydrodibenzothiophen-5-ium;(4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-iodophenyl)-bis(3,4,5-trifluorophenyl)sulfanium;5-phenyl-4a,9b-dihydrodibenzothiophen-5-ium?

The IUPAC name of bis(4-fluorophenyl)-(4-iodophenyl)sulfanium;4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;1-(4-tert-butylphenyl)thian-1-ium;10-(4-fluorophenyl)-4a,10a-dihydrophenoxathiin-10-ium;5-(4-fluorophenyl)-4a,9b-dihydrodibenzothiophen-5-ium;(4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-iodophenyl)-bis(3,4,5-trifluorophenyl)sulfanium;5-phenyl-4a,9b-dihydrodibenzothiophen-5-ium (CID 167582274) is bis(4-fluorophenyl)-(4-iodophenyl)sulfanium;4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;1-(4-tert-butylphenyl)thian-1-ium;10-(4-fluorophenyl)-4a,10a-dihydrophenoxathiin-10-ium;5-(4-fluorophenyl)-4a,9b-dihydrodibenzothiophen-5-ium;(4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-iodophenyl)-bis(3,4,5-trifluorophenyl)sulfanium;5-phenyl-4a,9b-dihydrodibenzothiophen-5-ium.

What is the SMILES notation for bis(4-fluorophenyl)-(4-iodophenyl)sulfanium;4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;1-(4-tert-butylphenyl)thian-1-ium;10-(4-fluorophenyl)-4a,10a-dihydrophenoxathiin-10-ium;5-(4-fluorophenyl)-4a,9b-dihydrodibenzothiophen-5-ium;(4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-iodophenyl)-bis(3,4,5-trifluorophenyl)sulfanium;5-phenyl-4a,9b-dihydrodibenzothiophen-5-ium?

The canonical SMILES for bis(4-fluorophenyl)-(4-iodophenyl)sulfanium;4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;1-(4-tert-butylphenyl)thian-1-ium;10-(4-fluorophenyl)-4a,10a-dihydrophenoxathiin-10-ium;5-(4-fluorophenyl)-4a,9b-dihydrodibenzothiophen-5-ium;(4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-iodophenyl)-bis(3,4,5-trifluorophenyl)sulfanium;5-phenyl-4a,9b-dihydrodibenzothiophen-5-ium is C1=CC2c3ccccc3[S+](c3ccccc3)C2C=C1.CC(C)(C)c1ccc([S+]2CCCCC2)cc1.CC(C)(C)c1ccc([S+]2CCOCC2)cc1.FC(F)(F)c1ccc([S+](c2ccc(I)cc2)c2ccc(C(F)(F)F)cc2)cc1.Fc1cc([S+](c2ccc(I)cc2)c2cc(F)c(F)c(F)c2)cc(F)c1F.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(I)cc2)cc1.Fc1ccc([S+]2c3ccccc3C3C=CC=CC32)cc1.Fc1ccc([S+]2c3ccccc3OC3C=CC=CC32)cc1.

What is the InChIKey of bis(4-fluorophenyl)-(4-iodophenyl)sulfanium;4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;1-(4-tert-butylphenyl)thian-1-ium;10-(4-fluorophenyl)-4a,10a-dihydrophenoxathiin-10-ium;5-(4-fluorophenyl)-4a,9b-dihydrodibenzothiophen-5-ium;(4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-iodophenyl)-bis(3,4,5-trifluorophenyl)sulfanium;5-phenyl-4a,9b-dihydrodibenzothiophen-5-ium?

The InChIKey is HIHCKNFRFSRJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6IS.C18H8F6IS.C18H12F2IS.C18H14FOS.C18H14FS.C18H15S.C15H23S.C14H21OS/c21-19(22,23)13-1-7-16(8-2-13)28(18-11-5-15(27)6-12-18)17-9-3-14(4-10-17)20(24,25)26;19-13-5-11(6-14(20)17(13)23)26(10-3-1-9(25)2-4-10)12-7-15(21)18(24)16(22)8-12;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;19-13-9-11-14(12-10-13)21-17-7-3-1-5-15(17)20-16-6-2-4-8-18(16)21;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(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;1-15(2,3)13-7-9-14(10-8-13)16-11-5-4-6-12-16;1-14(2,3)12-4-6-13(7-5-12)16-10-8-15-9-11-16/h1-12H;1-8H;1-12H;1-12,15,17H;1-12,15,17H;1-13,15,17H;7-10H,4-6,11-12H2,1-3H3;4-7H,8-11H2,1-3H3/q8*+1.

What are the key properties of bis(4-fluorophenyl)-(4-iodophenyl)sulfanium;4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;1-(4-tert-butylphenyl)thian-1-ium;10-(4-fluorophenyl)-4a,10a-dihydrophenoxathiin-10-ium;5-(4-fluorophenyl)-4a,9b-dihydrodibenzothiophen-5-ium;(4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-iodophenyl)-bis(3,4,5-trifluorophenyl)sulfanium;5-phenyl-4a,9b-dihydrodibenzothiophen-5-ium?

bis(4-fluorophenyl)-(4-iodophenyl)sulfanium;4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;1-(4-tert-butylphenyl)thian-1-ium;10-(4-fluorophenyl)-4a,10a-dihydrophenoxathiin-10-ium;5-(4-fluorophenyl)-4a,9b-dihydrodibenzothiophen-5-ium;(4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-iodophenyl)-bis(3,4,5-trifluorophenyl)sulfanium;5-phenyl-4a,9b-dihydrodibenzothiophen-5-ium has a molecular weight of 2762.69 g/mol, XLogP of 39.33, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-fluorophenyl)-(4-iodophenyl)sulfanium;4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;1-(4-tert-butylphenyl)thian-1-ium;10-(4-fluorophenyl)-4a,10a-dihydrophenoxathiin-10-ium;5-(4-fluorophenyl)-4a,9b-dihydrodibenzothiophen-5-ium;(4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium;(4-iodophenyl)-bis(3,4,5-trifluorophenyl)sulfanium;5-phenyl-4a,9b-dihydrodibenzothiophen-5-ium is sourced from PubChem (CID 167582274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).