tetrakis((4-butoxyphenyl)-diphenylsulfanium);bis((4-tert-butylphenyl)sulfanium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-6-oxidoperoxysulfanylbenzene;hexakis(1,2,4,5-tetrafluoro-3-methylsulfanyl-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)-6-oxidoperoxysulfanylbenzene

C215H217F41O33S24 — CID 158928380

About tetrakis((4-butoxyphenyl)-diphenylsulfanium);bis((4-tert-butylphenyl)sulfanium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-6-oxidoperoxysulfanylbenzene;hexakis(1,2,4,5-tetrafluoro-3-methylsulfanyl-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)-6-oxidoperoxysulfanylbenzene

tetrakis((4-butoxyphenyl)-diphenylsulfanium);bis((4-tert-butylphenyl)sulfanium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-6-oxidoperoxysulfanylbenzene;hexakis(1,2,4,5-tetrafluoro-3-methylsulfanyl-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)-6-oxidoperoxysulfanylbenzene (PubChem CID 158928380) has the molecular formula C215H217F41O33S24 and a molecular weight of 4877.59 g/mol. Its IUPAC name is tetrakis((4-butoxyphenyl)-diphenylsulfanium);bis((4-tert-butylphenyl)sulfanium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-6-oxidoperoxysulfanylbenzene;hexakis(1,2,4,5-tetrafluoro-3-methylsulfanyl-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)-6-oxidoperoxysulfanylbenzene.

Molecular Properties

• Compound Name: tetrakis((4-butoxyphenyl)-diphenylsulfanium);bis((4-tert-butylphenyl)sulfanium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-6-oxidoperoxysulfanylbenzene;hexakis(1,2,4,5-tetrafluoro-3-methylsulfanyl-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)-6-oxidoperoxysulfanylbenzene
• PubChem CID: 158928380
• Molecular Formula: C215H217F41O33S24
• Molecular Weight: 4877.59 g/mol
• Exact Mass: 4872.79
• IUPAC Name: tetrakis((4-butoxyphenyl)-diphenylsulfanium);bis((4-tert-butylphenyl)sulfanium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-6-oxidoperoxysulfanylbenzene;hexakis(1,2,4,5-tetrafluoro-3-methylsulfanyl-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)-6-oxidoperoxysulfanylbenzene
• SMILES: CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C)c1ccc([SH2+])cc1.CC(C)(C)c1ccc([SH2+])cc1.CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COCCOCCOCCSc1c(F)c(F)c(SOO[O-])c(F)c1F.CSc1c(F)c(F)c(SOO[O-])c(F)c1F.CSc1c(F)c(F)c(SOO[O-])c(F)c1F.CSc1c(F)c(F)c(SOO[O-])c(F)c1F.CSc1c(F)c(F)c(SOO[O-])c(F)c1F.CSc1c(F)c(F)c(SOO[O-])c(F)c1F.CSc1c(F)c(F)c(SOO[O-])c(F)c1F.[O-]OOSc1c(F)c(F)c(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1F
• InChI: InChI=1S/4C22H23OS.2C20H29OS.C13H16F4O6S2.C12H5F13O3S2.2C10H14S.6C7H4F4O3S2/c4*1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;2*1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-19-2-3-20-4-5-21-6-7-24-12-8(14)10(16)13(25-23-22-18)11(17)9(12)15;13-3-5(15)8(30-28-27-26)6(16)4(14)7(3)29-2-1-9(17,18)10(19,20)11(21,22)12(23,24)25;2*1-10(2,3)8-4-6-9(11)7-5-8;6*1-15-6-2(8)4(10)7(16-14-13-12)5(11)3(6)9/h4*4-17H,2-3,18H2,1H3;2*10-13,16H,3-9,14-15H2,1-2H3;18H,2-7H2,1H3;26H,1-2H2;2*4-7,11H,1-3H3;6*12H,1H3/q6*+1;;;;;;;;;;/p-6
• InChIKey: JISPTLJVUVIQLB-UHFFFAOYSA-H
• XLogP: 59.61
• TPSA: 430.91 Ų
• H-Bond Acceptors: 49
• Rotatable Bonds: 82
• Heavy Atoms: 313
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4877.59
LogP ≤ 5	59.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of tetrakis((4-butoxyphenyl)-diphenylsulfanium);bis((4-tert-butylphenyl)sulfanium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-6-oxidoperoxysulfanylbenzene;hexakis(1,2,4,5-tetrafluoro-3-methylsulfanyl-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)-6-oxidoperoxysulfanylbenzene?

The IUPAC name of tetrakis((4-butoxyphenyl)-diphenylsulfanium);bis((4-tert-butylphenyl)sulfanium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-6-oxidoperoxysulfanylbenzene;hexakis(1,2,4,5-tetrafluoro-3-methylsulfanyl-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)-6-oxidoperoxysulfanylbenzene (CID 158928380) is tetrakis((4-butoxyphenyl)-diphenylsulfanium);bis((4-tert-butylphenyl)sulfanium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-6-oxidoperoxysulfanylbenzene;hexakis(1,2,4,5-tetrafluoro-3-methylsulfanyl-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)-6-oxidoperoxysulfanylbenzene.

What is the SMILES notation for tetrakis((4-butoxyphenyl)-diphenylsulfanium);bis((4-tert-butylphenyl)sulfanium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-6-oxidoperoxysulfanylbenzene;hexakis(1,2,4,5-tetrafluoro-3-methylsulfanyl-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)-6-oxidoperoxysulfanylbenzene?

The canonical SMILES for tetrakis((4-butoxyphenyl)-diphenylsulfanium);bis((4-tert-butylphenyl)sulfanium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-6-oxidoperoxysulfanylbenzene;hexakis(1,2,4,5-tetrafluoro-3-methylsulfanyl-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)-6-oxidoperoxysulfanylbenzene is CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C)c1ccc([SH2+])cc1.CC(C)(C)c1ccc([SH2+])cc1.CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COCCOCCOCCSc1c(F)c(F)c(SOO[O-])c(F)c1F.CSc1c(F)c(F)c(SOO[O-])c(F)c1F.CSc1c(F)c(F)c(SOO[O-])c(F)c1F.CSc1c(F)c(F)c(SOO[O-])c(F)c1F.CSc1c(F)c(F)c(SOO[O-])c(F)c1F.CSc1c(F)c(F)c(SOO[O-])c(F)c1F.CSc1c(F)c(F)c(SOO[O-])c(F)c1F.[O-]OOSc1c(F)c(F)c(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(F)c1F.

What is the InChIKey of tetrakis((4-butoxyphenyl)-diphenylsulfanium);bis((4-tert-butylphenyl)sulfanium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-6-oxidoperoxysulfanylbenzene;hexakis(1,2,4,5-tetrafluoro-3-methylsulfanyl-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)-6-oxidoperoxysulfanylbenzene?

The InChIKey is JISPTLJVUVIQLB-UHFFFAOYSA-H. The full InChI is InChI=1S/4C22H23OS.2C20H29OS.C13H16F4O6S2.C12H5F13O3S2.2C10H14S.6C7H4F4O3S2/c4*1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;2*1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-19-2-3-20-4-5-21-6-7-24-12-8(14)10(16)13(25-23-22-18)11(17)9(12)15;13-3-5(15)8(30-28-27-26)6(16)4(14)7(3)29-2-1-9(17,18)10(19,20)11(21,22)12(23,24)25;2*1-10(2,3)8-4-6-9(11)7-5-8;6*1-15-6-2(8)4(10)7(16-14-13-12)5(11)3(6)9/h4*4-17H,2-3,18H2,1H3;2*10-13,16H,3-9,14-15H2,1-2H3;18H,2-7H2,1H3;26H,1-2H2;2*4-7,11H,1-3H3;6*12H,1H3/q6*+1;;;;;;;;;;/p-6.

What are the key properties of tetrakis((4-butoxyphenyl)-diphenylsulfanium);bis((4-tert-butylphenyl)sulfanium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-6-oxidoperoxysulfanylbenzene;hexakis(1,2,4,5-tetrafluoro-3-methylsulfanyl-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)-6-oxidoperoxysulfanylbenzene?

tetrakis((4-butoxyphenyl)-diphenylsulfanium);bis((4-tert-butylphenyl)sulfanium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-6-oxidoperoxysulfanylbenzene;hexakis(1,2,4,5-tetrafluoro-3-methylsulfanyl-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)-6-oxidoperoxysulfanylbenzene has a molecular weight of 4877.59 g/mol, XLogP of 59.61, 82 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis((4-butoxyphenyl)-diphenylsulfanium);bis((4-tert-butylphenyl)sulfanium);bis(1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one);1,2,4,5-tetrafluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-6-oxidoperoxysulfanylbenzene;hexakis(1,2,4,5-tetrafluoro-3-methylsulfanyl-6-oxidoperoxysulfanylbenzene);1,2,4,5-tetrafluoro-3-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)-6-oxidoperoxysulfanylbenzene is sourced from PubChem (CID 158928380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).