[4-(2-acetyloxyethoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;(3-methylphenyl)-diphenylsulfanium;10-methyl-5-phenylphenothiazin-5-ium;5-phenyl-10H-phenothiazin-5-ium

C141H128F3N2O9S7+7 — CID 167652126

About [4-(2-acetyloxyethoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;(3-methylphenyl)-diphenylsulfanium;10-methyl-5-phenylphenothiazin-5-ium;5-phenyl-10H-phenothiazin-5-ium

[4-(2-acetyloxyethoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;(3-methylphenyl)-diphenylsulfanium;10-methyl-5-phenylphenothiazin-5-ium;5-phenyl-10H-phenothiazin-5-ium (PubChem CID 167652126) has the molecular formula C141H128F3N2O9S7+7 and a molecular weight of 2276.04 g/mol. Its IUPAC name is [4-(2-acetyloxyethoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;(3-methylphenyl)-diphenylsulfanium;10-methyl-5-phenylphenothiazin-5-ium;5-phenyl-10H-phenothiazin-5-ium.

Molecular Properties

• Compound Name: [4-(2-acetyloxyethoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;(3-methylphenyl)-diphenylsulfanium;10-methyl-5-phenylphenothiazin-5-ium;5-phenyl-10H-phenothiazin-5-ium
• PubChem CID: 167652126
• Molecular Formula: C141H128F3N2O9S7+7
• Molecular Weight: 2276.04 g/mol
• Exact Mass: 2273.76
• IUPAC Name: [4-(2-acetyloxyethoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;(3-methylphenyl)-diphenylsulfanium;10-methyl-5-phenylphenothiazin-5-ium;5-phenyl-10H-phenothiazin-5-ium
• SMILES: CC(=O)OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CN1c2ccccc2[S+](c2ccccc2)c2ccccc21.COCCOCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cccc([S+](c2ccccc2)c2ccccc2)c1.FC(F)(F)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+]2c3ccccc3Nc3ccccc32)cc1
• InChI: InChI=1S/C23H25O3S.C22H21O3S.C21H21O2S.C19H14F3OS.C19H16NS.C19H17S.C18H14NS/c1-24-16-17-25-18-19-26-20-12-14-23(15-13-20)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22;1-18(23)24-16-17-25-19-12-14-22(15-13-19)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-22-16-17-23-18-12-14-21(15-13-18)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20;20-19(21,22)23-15-11-13-18(14-12-15)24(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-20-16-11-5-7-13-18(16)21(15-9-3-2-4-10-15)19-14-8-6-12-17(19)20;1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20/h2-15H,16-19H2,1H3;2-15H,16-17H2,1H3;2-15H,16-17H2,1H3;1-14H;2-14H,1H3;2-15H,1H3;1-13,19H/q7*+1
• InChIKey: QSQNACGRSXEPEP-UHFFFAOYSA-N
• XLogP: 34.83
• TPSA: 106.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 33
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2276.04
LogP ≤ 5	34.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(2-acetyloxyethoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;(3-methylphenyl)-diphenylsulfanium;10-methyl-5-phenylphenothiazin-5-ium;5-phenyl-10H-phenothiazin-5-ium?

The IUPAC name of [4-(2-acetyloxyethoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;(3-methylphenyl)-diphenylsulfanium;10-methyl-5-phenylphenothiazin-5-ium;5-phenyl-10H-phenothiazin-5-ium (CID 167652126) is [4-(2-acetyloxyethoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;(3-methylphenyl)-diphenylsulfanium;10-methyl-5-phenylphenothiazin-5-ium;5-phenyl-10H-phenothiazin-5-ium.

What is the SMILES notation for [4-(2-acetyloxyethoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;(3-methylphenyl)-diphenylsulfanium;10-methyl-5-phenylphenothiazin-5-ium;5-phenyl-10H-phenothiazin-5-ium?

The canonical SMILES for [4-(2-acetyloxyethoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;(3-methylphenyl)-diphenylsulfanium;10-methyl-5-phenylphenothiazin-5-ium;5-phenyl-10H-phenothiazin-5-ium is CC(=O)OCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CN1c2ccccc2[S+](c2ccccc2)c2ccccc21.COCCOCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cccc([S+](c2ccccc2)c2ccccc2)c1.FC(F)(F)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+]2c3ccccc3Nc3ccccc32)cc1.

What is the InChIKey of [4-(2-acetyloxyethoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;(3-methylphenyl)-diphenylsulfanium;10-methyl-5-phenylphenothiazin-5-ium;5-phenyl-10H-phenothiazin-5-ium?

The InChIKey is QSQNACGRSXEPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25O3S.C22H21O3S.C21H21O2S.C19H14F3OS.C19H16NS.C19H17S.C18H14NS/c1-24-16-17-25-18-19-26-20-12-14-23(15-13-20)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22;1-18(23)24-16-17-25-19-12-14-22(15-13-19)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-22-16-17-23-18-12-14-21(15-13-18)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20;20-19(21,22)23-15-11-13-18(14-12-15)24(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-20-16-11-5-7-13-18(16)21(15-9-3-2-4-10-15)19-14-8-6-12-17(19)20;1-16-9-8-14-19(15-16)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20/h2-15H,16-19H2,1H3;2-15H,16-17H2,1H3;2-15H,16-17H2,1H3;1-14H;2-14H,1H3;2-15H,1H3;1-13,19H/q7*+1.

What are the key properties of [4-(2-acetyloxyethoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;(3-methylphenyl)-diphenylsulfanium;10-methyl-5-phenylphenothiazin-5-ium;5-phenyl-10H-phenothiazin-5-ium?

[4-(2-acetyloxyethoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;(3-methylphenyl)-diphenylsulfanium;10-methyl-5-phenylphenothiazin-5-ium;5-phenyl-10H-phenothiazin-5-ium has a molecular weight of 2276.04 g/mol, XLogP of 34.83, 33 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-acetyloxyethoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2-methoxyethoxy)phenyl]-diphenylsulfanium;(3-methylphenyl)-diphenylsulfanium;10-methyl-5-phenylphenothiazin-5-ium;5-phenyl-10H-phenothiazin-5-ium is sourced from PubChem (CID 167652126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).