[4-(2-acetyloxyacetyl)oxy-3,5-dimethylphenyl]-diphenylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylcyclohexa-1,3-dien-1-yl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium

C132H146F10NO11S5+5 — CID 158525876

About [4-(2-acetyloxyacetyl)oxy-3,5-dimethylphenyl]-diphenylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylcyclohexa-1,3-dien-1-yl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium

[4-(2-acetyloxyacetyl)oxy-3,5-dimethylphenyl]-diphenylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylcyclohexa-1,3-dien-1-yl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium (PubChem CID 158525876) has the molecular formula C132H146F10NO11S5+5 and a molecular weight of 2272.93 g/mol. Its IUPAC name is [4-(2-acetyloxyacetyl)oxy-3,5-dimethylphenyl]-diphenylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylcyclohexa-1,3-dien-1-yl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium.

Molecular Properties

• Compound Name: [4-(2-acetyloxyacetyl)oxy-3,5-dimethylphenyl]-diphenylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylcyclohexa-1,3-dien-1-yl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium
• PubChem CID: 158525876
• Molecular Formula: C132H146F10NO11S5+5
• Molecular Weight: 2272.93 g/mol
• Exact Mass: 2270.93
• IUPAC Name: [4-(2-acetyloxyacetyl)oxy-3,5-dimethylphenyl]-diphenylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylcyclohexa-1,3-dien-1-yl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium
• SMILES: CC(=O)OCC(=O)Oc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C.CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)C(F)(F)F)cc1.CC1=C(OCCCN(C)C)C(C)CC([S+](c2ccccc2)c2ccccc2)=C1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCCCC(F)(F)CC(F)(F)C(F)(F)F
• InChI: InChI=1S/C35H39O5S.C27H26F7OS.C25H32NOS.C24H23O4S.C21H26F3S/c1-23-14-31(41(29-10-6-4-7-11-29)30-12-8-5-9-13-30)15-24(2)34(23)39-21-32(36)38-22-33(37)40-35(3)27-17-25-16-26(19-27)20-28(35)18-25;1-19-16-23(36(21-10-5-3-6-11-21)22-12-7-4-8-13-22)17-20(2)24(19)35-15-9-14-25(28,29)18-26(30,31)27(32,33)34;1-20-18-24(19-21(2)25(20)27-17-11-16-26(3)4)28(22-12-7-5-8-13-22)23-14-9-6-10-15-23;1-17-14-22(15-18(2)24(17)28-23(26)16-27-19(3)25)29(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-19(2,3)15-7-11-17(12-8-15)25(21(22,23)24)18-13-9-16(10-14-18)20(4,5)6/h4-15,25-28H,16-22H2,1-3H3;3-8,10-13,16-17H,9,14-15,18H2,1-2H3;5-10,12-15,18,21H,11,16-17,19H2,1-4H3;4-15H,16H2,1-3H3;7-14H,1-6H3/q5*+1
• InChIKey: HMTUYJMXNKQGKM-UHFFFAOYSA-N
• XLogP: 33.45
• TPSA: 136.13 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 35
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2272.93
LogP ≤ 5	33.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(2-acetyloxyacetyl)oxy-3,5-dimethylphenyl]-diphenylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylcyclohexa-1,3-dien-1-yl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium?

The IUPAC name of [4-(2-acetyloxyacetyl)oxy-3,5-dimethylphenyl]-diphenylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylcyclohexa-1,3-dien-1-yl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium (CID 158525876) is [4-(2-acetyloxyacetyl)oxy-3,5-dimethylphenyl]-diphenylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylcyclohexa-1,3-dien-1-yl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium.

What is the SMILES notation for [4-(2-acetyloxyacetyl)oxy-3,5-dimethylphenyl]-diphenylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylcyclohexa-1,3-dien-1-yl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium?

The canonical SMILES for [4-(2-acetyloxyacetyl)oxy-3,5-dimethylphenyl]-diphenylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylcyclohexa-1,3-dien-1-yl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium is CC(=O)OCC(=O)Oc1c(C)cc([S+](c2ccccc2)c2ccccc2)cc1C.CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)C(F)(F)F)cc1.CC1=C(OCCCN(C)C)C(C)CC([S+](c2ccccc2)c2ccccc2)=C1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCCCC(F)(F)CC(F)(F)C(F)(F)F.

What is the InChIKey of [4-(2-acetyloxyacetyl)oxy-3,5-dimethylphenyl]-diphenylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylcyclohexa-1,3-dien-1-yl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium?

The InChIKey is HMTUYJMXNKQGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39O5S.C27H26F7OS.C25H32NOS.C24H23O4S.C21H26F3S/c1-23-14-31(41(29-10-6-4-7-11-29)30-12-8-5-9-13-30)15-24(2)34(23)39-21-32(36)38-22-33(37)40-35(3)27-17-25-16-26(19-27)20-28(35)18-25;1-19-16-23(36(21-10-5-3-6-11-21)22-12-7-4-8-13-22)17-20(2)24(19)35-15-9-14-25(28,29)18-26(30,31)27(32,33)34;1-20-18-24(19-21(2)25(20)27-17-11-16-26(3)4)28(22-12-7-5-8-13-22)23-14-9-6-10-15-23;1-17-14-22(15-18(2)24(17)28-23(26)16-27-19(3)25)29(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-19(2,3)15-7-11-17(12-8-15)25(21(22,23)24)18-13-9-16(10-14-18)20(4,5)6/h4-15,25-28H,16-22H2,1-3H3;3-8,10-13,16-17H,9,14-15,18H2,1-2H3;5-10,12-15,18,21H,11,16-17,19H2,1-4H3;4-15H,16H2,1-3H3;7-14H,1-6H3/q5*+1.

What are the key properties of [4-(2-acetyloxyacetyl)oxy-3,5-dimethylphenyl]-diphenylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylcyclohexa-1,3-dien-1-yl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium?

[4-(2-acetyloxyacetyl)oxy-3,5-dimethylphenyl]-diphenylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylcyclohexa-1,3-dien-1-yl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium has a molecular weight of 2272.93 g/mol, XLogP of 33.45, 35 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-acetyloxyacetyl)oxy-3,5-dimethylphenyl]-diphenylsulfanium;bis(4-tert-butylphenyl)-(trifluoromethyl)sulfanium;[4-[3-(dimethylamino)propoxy]-3,5-dimethylcyclohexa-1,3-dien-1-yl]-diphenylsulfanium;[3,5-dimethyl-4-[2-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-(4,4,6,6,7,7,7-heptafluoroheptoxy)-3,5-dimethylphenyl]-diphenylsulfanium is sourced from PubChem (CID 158525876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).